medicinal chemistry

By Targets:	5-HT Receptor (1) Apoptosis (1) Beta-secretase (1) Biochemical Assay Reagents (6) Dopamine Receptor (1) Drug Intermediate (1) EGFR (1) Endogenous Metabolite (1) FAK (1) HIV (2) Parasite (1) Reference Standards (2) Sirtuin (1)
By Research Areas:	Cancer (2) Infection (4) Inflammation/Immunology (1) Metabolic Disease (1) Neurological Disease (2)

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-118292

Hydroquinone diacetate 1,4-Diacetoxybenzene	Drug Intermediate	Others
Hydroquinone diacetate (1,4-Diacetoxybenzene) is an important substance in organic and medicinal chemistry. Hydroquinone diacetate is widely used as an ingredient in skin lighteners .

HY-B0055

Azulene Cyclopentacycloheptene	HIV	Infection
Azulene (Cyclopentacycloheptene) is as an isomer of naphthalene with high anti-HIV activity. Azulene, isolated from the distillation of chamomile oil, is a scaffold in medicinal chemistry .

HY-W027592

1H-1,2,4-Triazol-3-amine	Biochemical Assay Reagents	Others
1H-1,2,4-Triazol-3-amine consists of a triazole ring system and an amino group attached to carbon atom 3. The compound has potential applications in various fields such as medicinal chemistry, agrochemicals and material science. In medicinal chemistry, 1H-1,2,4-Triazol-3-amine is used as a starting material for the synthesis of pharmaceutical compounds such as antifungal agents, anticancer agents, and enzyme inhibitors associated with cardiovascular disease. In agrochemicals, it can be used as a raw material for the synthesis of herbicides, fungicides and insecticides. Furthermore, 1H-1,2,4-Triazol-3-amine is used as a ligand in coordination chemistry and as a precursor for the production of new functional materials such as polymers and metal-organic frameworks.

HY-134570

ZINC40099027 2 Publications Verification	FAK	Metabolic Disease Inflammation/Immunology
ZINC40099027 is a selective FAK activator. ZINC40099027 promotes FAK phosphorylation, without activating its paralogs Pyk2 and Src. ZINC40099027 promotes the wound closure of human intestinal epithelial monolayers and the healing of mouse ulcers by activating FAK. ZINC40099027 can be used for diseases related to gastrointestinal mucosal injury research .

HY-W095635

Tetramethylammonium fluoride tetrahydrate	Biochemical Assay Reagents	Others
Tetramethylammonium fluoride tetrahydrate (TMAF) is a quaternary ammonium salt. TMAF is commonly used as a weak base and a source of fluoride ions in various organic reactions, including nucleophilic substitution, functional group deprotection, and ring-opening polymerization. Unlike other fluoride sources, TMAF is compatible with many functional groups, making it a versatile tool in synthetic chemistry. Functional reagents, In addition, TMAF has been used as a fluorinating agent in medicinal chemistry, for the preparation of radiotracers and protein modification in biochemistry, and the tetrahydrate form of TMAF is more stable and easier to handle than the anhydrous form.

HY-135492

O-Methylmoschatoline Liridine; Homomoschatoline	Endogenous Metabolite	Others
O-Methylmoschatoline (Liridine) is a compound with notable bioactivity, exhibiting potential applications in medicinal chemistry.

HY-151092

Anticancer agent 77	Apoptosis	Cancer
Anticancer agent 77 (Compound 6c) shows anticancer activity, and can be widely used in synthesis and medicinal chemistry research .

HY-B0055R

Azulene (Standard) Cyclopentacycloheptene (Standard)	Reference Standards HIV	Infection
Azulene (Standard) is the analytical standard of Azulene. This product is intended for research and analytical applications. Azulene (Cyclopentacycloheptene) is as an isomer of naphthalene with high anti-HIV activity. Azulene, isolated from the distillation of chamomile oil, is a scaffold in medicinal chemistry .

HY-130244

BACE1-IN-5	Beta-secretase	Neurological Disease
BACE1-IN-5 (Compound 15) is a β-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitor with an IC₅₀ of 9.1 nM, and also inhibits cellular amyloid-β (Aβ) with an IC₅₀ of 0.82 nM. BACE1-IN-5 has a medicinal chemistry that improves hERG inhibition and P-gp efflux .

HY-W027592R

1H-1,2,4-Triazol-3-amine (Standard)	Biochemical Assay Reagents Reference Standards	Others
1H-1,2,4-Triazol-3-amine (Standard) is the analytical standard of 1H-1,2,4-Triazol-3-amine. This product is intended for research and analytical applications. 1H-1,2,4-Triazol-3-amine consists of a triazole ring system and an amino group attached to carbon atom 3. The compound has potential applications in various fields such as medicinal chemistry, agrochemicals and material science. In medicinal chemistry, 1H-1,2,4-Triazol-3-amine is used as a starting material for the synthesis of pharmaceutical compounds such as antifungal agents, anticancer agents, and enzyme inhibitors associated with cardiovascular disease. In agrochemicals, it can be used as a raw material for the synthesis of herbicides, fungicides and insecticides. Furthermore, 1H-1,2,4-Triazol-3-amine is used as a ligand in coordination chemistry and as a precursor for the production of new functional materials such as polymers and metal-organic frameworks.

HY-P1704

Cyclosporin E 11-Demethylcyclosporin A	Biochemical Assay Reagents	Infection
Cyclosporin E (11-Demethylcyclosporin A) is a cyclic oligopeptide that can be isolated from fungi such as TTrichoderma polysporum and other imperfect fungi. Cyclosporin E belongs to the Cyclosporins family. Cyclosporin E can be used for studying the structure-activity relationships and molecular dynamic properties of cyclosporin compounds. As a structural control compound, Cyclosporin E holds significant research value in the fields of medicinal chemistry and biophysics .

HY-W087964

Dodecanedioyl dichloride	Biochemical Assay Reagents	Others
Dodecanedioyl dichloride, Dodecanedioyl dichloride is commonly used in organic synthesis as a general building block for the preparation of various polymers and plastics, including nylon 12 and polyester resins, it can be used to introduce acid chloride groups into other organic molecules, which can then be further reaction to form more complex compounds, moreover, it has been used in medicinal chemistry as a starting material for the synthesis of various drugs and drug candidates.

HY-155378

PZ-1190	5-HT Receptor Dopamine Receptor	Neurological Disease
PZ-1190 is a multitarget ligand for serotonin and dopamine receptors with potential antipsychotic activity in rodents .

HY-178283

EGFR-IN-177	EGFR	Cancer
EGFR-IN-177 is a potent EGFR inhibitor with IC₅₀s of 0.32, 1.04, 0.65, 0.67, 0.48, 0.55 and 0.38 nM against EGFR L858R, EGFR L858R/T790M, EGFR L858R/T790M/C797S, EGFR D746-750, EGFR D746-750/C797S, EGFR D770_N77linsNPG, and EGFR WT. EGFR-IN-177 inhibits lung cancer proliferation and EGFR phosphorylation. EGFR-IN-177 can be used for the study of cancers such as non-small cell lung cancer .

HY-W020111

7-Chloro-4-(piperazin-1-yl)quinoline	Sirtuin Parasite	Infection
7-Chloro-4-(piperazin-1-yl)quinolone is an important scaffold in medicinal chemistry. 7-Chloro-4-(piperazin-1-yl)quinolone is a potent sirtuin inhibitor and also inhibits the serotonin uptake (IC₅₀ of 50 μM). 7-Chloro-4-(piperazin-1-yl)quinolone exhibits antimalarial activity on D10 and K1 strains of *P. falciparum* with IC₅₀s of 1.18 μM and 0.97 μM, respectively .

HY-W014159

1-Bromo-2-methyl-3-nitrobenzene	Biochemical Assay Reagents	Others
1-Bromo-2-methyl-3-nitrobenzene is an organic synthesis intermediate. 1-Bromo-2-methyl-3-nitrobenzene participates in chemical reactions such as electrophilic substitution and coupling through the bromine atom and nitro group in the molecule, and acts as a synthetic precursor. 1-Bromo-2-methyl-3-nitrobenzene can construct complex molecular structures by relying on the leaving property of bromine and the electron-withdrawing property of nitro group, and can be used in the synthesis of benzimidazole VISTA inhibitors in medicinal chemistry .

Cat. No.	Product Name

HY-L0120V

Asinex BioDesign Library	170,269 compounds
“BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates. Saturated, fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. This library addressed this market need by incorporating these privileged elements into the design of novel synthetic molecules with high molecular framework diversity, multiple stereogenic centers (≥2), and degree of saturation (Fsp3 > 0.5).

Asinex BioDesign Library

170,269 compounds

“BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates.

Saturated, fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. This library addressed this market need by incorporating these privileged elements into the design of novel synthetic molecules with high molecular framework diversity, multiple stereogenic centers (≥2), and degree of saturation (Fsp3 > 0.5).

HY-L138

Heterocyclic Compound Library	6,324 compounds
Heterocyclic compounds are cyclic organic compounds which contain at least one hetero atom, the most common heteroatoms are nitrogen, oxygen ,and sulfur. Heterocycles are common in biology, featuring a wide range of structures from enzyme co-factors to amino acids and proteins. On the one hand, heterocycles are common structural units in approved drugs and in medicinal chemistry targets in the drug discovery process. In addition, heterocycles have been found as a key structure in medical chemistry and also they are frequently found in large percent of biomolecules such as vitamins, natural products ,and biologically active compounds including antifungal, anti-inflammatory, antibacterial, antioxidant, antiallergic, anti-HIV, antidiabetic, anticancer activity. MCE offers a unique collection of 6,324 heterocyclic compounds which can be used for drug discovery for high throughput screening (HTS) and high content screening (HCS). MCE heterocyclic compound library is critical for drug discovery and development.

Heterocyclic Compound Library

6,324 compounds

Heterocyclic compounds are cyclic organic compounds which contain at least one hetero atom, the most common heteroatoms are nitrogen, oxygen ,and sulfur. Heterocycles are common in biology, featuring a wide range of structures from enzyme co-factors to amino acids and proteins. On the one hand, heterocycles are common structural units in approved drugs and in medicinal chemistry targets in the drug discovery process. In addition, heterocycles have been found as a key structure in medical chemistry and also they are frequently found in large percent of biomolecules such as vitamins, natural products ,and biologically active compounds including antifungal, anti-inflammatory, antibacterial, antioxidant, antiallergic, anti-HIV, antidiabetic, anticancer activity.

MCE offers a unique collection of 6,324 heterocyclic compounds which can be used for drug discovery for high throughput screening (HTS) and high content screening (HCS). MCE heterocyclic compound library is critical for drug discovery and development.

HY-L084

Microbial Metabolite Library	895 compounds
Nature has been a source of medicinal products for millennia, with many useful active substances developed from plant sources. In the 20th century, the discovery of the penicillin was the starting point for drug discovery from microbial sources. Microorganisms， which have been considered to be a rich source of unique bioactive compounds, play an important role in the development of the chemistry of natural products and medical therapy. Microbial metabolites have proved to be affective antimicrobial agents, anti-tumor agents, enzyme inhibitors, anti-inflammatory agents, etc. Today, many microbial-originated antibiotics are available in the mark, and a large number of bioactive metabolites are used in medicine. MCE provides a unique collection of 895 microbial metabolites, which is an important source of lead compounds and can be used for drug discovery.

Microbial Metabolite Library

895 compounds

Nature has been a source of medicinal products for millennia, with many useful active substances developed from plant sources. In the 20th century, the discovery of the penicillin was the starting point for drug discovery from microbial sources. Microorganisms， which have been considered to be a rich source of unique bioactive compounds, play an important role in the development of the chemistry of natural products and medical therapy. Microbial metabolites have proved to be affective antimicrobial agents, anti-tumor agents, enzyme inhibitors, anti-inflammatory agents, etc. Today, many microbial-originated antibiotics are available in the mark, and a large number of bioactive metabolites are used in medicine.

MCE provides a unique collection of 895 microbial metabolites, which is an important source of lead compounds and can be used for drug discovery.

HY-L920

CNS MPO Lead-like Library	24,816 compounds
With the aging population and increasing competitive pressures, neurodegenerative diseases of the central nervous system (CNS) have become a serious medical challenge in modern society, including Parkinson's disease, Alzheimer's disease, brain tumors, and multiple sclerosis. The CNS MPO (Multi-Parameter Optimization) score is a widely recognized algorithm in medicinal chemistry. Developed by Pfizer, this method is based on an analysis of approved CNS drugs and their interior CNS drug candidates, establishing the CNS MPO rules. It incorporates six key physicochemical properties (ClogP, ClogD, MW, TPSA, HBD, and pKa) to prospectively optimize CNS drug attributes—such as high blood-brain barrier (BBB) permeability, low P-gp efflux liability, low metabolic clearance, and high safety—thereby improving the clinical success rate of CNS drug candidates. The CNS MPO compound library is a collection of compounds with CNS MPO scores greater than 5, specifically designed for CNS drug discovery.

CNS MPO Lead-like Library

24,816 compounds

With the aging population and increasing competitive pressures, neurodegenerative diseases of the central nervous system (CNS) have become a serious medical challenge in modern society, including Parkinson's disease, Alzheimer's disease, brain tumors, and multiple sclerosis. The CNS MPO (Multi-Parameter Optimization) score is a widely recognized algorithm in medicinal chemistry. Developed by Pfizer, this method is based on an analysis of approved CNS drugs and their interior CNS drug candidates, establishing the CNS MPO rules. It incorporates six key physicochemical properties (ClogP, ClogD, MW, TPSA, HBD, and pKa) to prospectively optimize CNS drug attributes—such as high blood-brain barrier (BBB) permeability, low P-gp efflux liability, low metabolic clearance, and high safety—thereby improving the clinical success rate of CNS drug candidates. The CNS MPO compound library is a collection of compounds with CNS MPO scores greater than 5, specifically designed for CNS drug discovery.

Cat. No.	Product Name	Type

HY-W027592

1H-1,2,4-Triazol-3-amine	Cell Assay Reagents
1H-1,2,4-Triazol-3-amine consists of a triazole ring system and an amino group attached to carbon atom 3. The compound has potential applications in various fields such as medicinal chemistry, agrochemicals and material science. In medicinal chemistry, 1H-1,2,4-Triazol-3-amine is used as a starting material for the synthesis of pharmaceutical compounds such as antifungal agents, anticancer agents, and enzyme inhibitors associated with cardiovascular disease. In agrochemicals, it can be used as a raw material for the synthesis of herbicides, fungicides and insecticides. Furthermore, 1H-1,2,4-Triazol-3-amine is used as a ligand in coordination chemistry and as a precursor for the production of new functional materials such as polymers and metal-organic frameworks.

1H-1,2,4-Triazol-3-amine

Cell Assay Reagents

1H-1,2,4-Triazol-3-amine consists of a triazole ring system and an amino group attached to carbon atom 3. The compound has potential applications in various fields such as medicinal chemistry, agrochemicals and material science. In medicinal chemistry, 1H-1,2,4-Triazol-3-amine is used as a starting material for the synthesis of pharmaceutical compounds such as antifungal agents, anticancer agents, and enzyme inhibitors associated with cardiovascular disease. In agrochemicals, it can be used as a raw material for the synthesis of herbicides, fungicides and insecticides. Furthermore, 1H-1,2,4-Triazol-3-amine is used as a ligand in coordination chemistry and as a precursor for the production of new functional materials such as polymers and metal-organic frameworks.

HY-W095635

Tetramethylammonium fluoride tetrahydrate	Biochemical Assay Reagents
Tetramethylammonium fluoride tetrahydrate (TMAF) is a quaternary ammonium salt. TMAF is commonly used as a weak base and a source of fluoride ions in various organic reactions, including nucleophilic substitution, functional group deprotection, and ring-opening polymerization. Unlike other fluoride sources, TMAF is compatible with many functional groups, making it a versatile tool in synthetic chemistry. Functional reagents, In addition, TMAF has been used as a fluorinating agent in medicinal chemistry, for the preparation of radiotracers and protein modification in biochemistry, and the tetrahydrate form of TMAF is more stable and easier to handle than the anhydrous form.

Tetramethylammonium fluoride tetrahydrate

Biochemical Assay Reagents

Tetramethylammonium fluoride tetrahydrate (TMAF) is a quaternary ammonium salt. TMAF is commonly used as a weak base and a source of fluoride ions in various organic reactions, including nucleophilic substitution, functional group deprotection, and ring-opening polymerization. Unlike other fluoride sources, TMAF is compatible with many functional groups, making it a versatile tool in synthetic chemistry. Functional reagents, In addition, TMAF has been used as a fluorinating agent in medicinal chemistry, for the preparation of radiotracers and protein modification in biochemistry, and the tetrahydrate form of TMAF is more stable and easier to handle than the anhydrous form.

HY-W087964

Dodecanedioyl dichloride	Biochemical Assay Reagents
Dodecanedioyl dichloride, Dodecanedioyl dichloride is commonly used in organic synthesis as a general building block for the preparation of various polymers and plastics, including nylon 12 and polyester resins, it can be used to introduce acid chloride groups into other organic molecules, which can then be further reaction to form more complex compounds, moreover, it has been used in medicinal chemistry as a starting material for the synthesis of various drugs and drug candidates.

Dodecanedioyl dichloride

Biochemical Assay Reagents

Dodecanedioyl dichloride, Dodecanedioyl dichloride is commonly used in organic synthesis as a general building block for the preparation of various polymers and plastics, including nylon 12 and polyester resins, it can be used to introduce acid chloride groups into other organic molecules, which can then be further reaction to form more complex compounds, moreover, it has been used in medicinal chemistry as a starting material for the synthesis of various drugs and drug candidates.

HY-W014159

1-Bromo-2-methyl-3-nitrobenzene	Biochemical Assay Reagents
1-Bromo-2-methyl-3-nitrobenzene is an organic synthesis intermediate. 1-Bromo-2-methyl-3-nitrobenzene participates in chemical reactions such as electrophilic substitution and coupling through the bromine atom and nitro group in the molecule, and acts as a synthetic precursor. 1-Bromo-2-methyl-3-nitrobenzene can construct complex molecular structures by relying on the leaving property of bromine and the electron-withdrawing property of nitro group, and can be used in the synthesis of benzimidazole VISTA inhibitors in medicinal chemistry .

1-Bromo-2-methyl-3-nitrobenzene

Biochemical Assay Reagents

1-Bromo-2-methyl-3-nitrobenzene is an organic synthesis intermediate. 1-Bromo-2-methyl-3-nitrobenzene participates in chemical reactions such as electrophilic substitution and coupling through the bromine atom and nitro group in the molecule, and acts as a synthetic precursor. 1-Bromo-2-methyl-3-nitrobenzene can construct complex molecular structures by relying on the leaving property of bromine and the electron-withdrawing property of nitro group, and can be used in the synthesis of benzimidazole VISTA inhibitors in medicinal chemistry .

HY-W027592R

1H-1,2,4-Triazol-3-amine (Standard)	Cell Assay Reagents
1H-1,2,4-Triazol-3-amine (Standard) is the analytical standard of 1H-1,2,4-Triazol-3-amine. This product is intended for research and analytical applications. 1H-1,2,4-Triazol-3-amine consists of a triazole ring system and an amino group attached to carbon atom 3. The compound has potential applications in various fields such as medicinal chemistry, agrochemicals and material science. In medicinal chemistry, 1H-1,2,4-Triazol-3-amine is used as a starting material for the synthesis of pharmaceutical compounds such as antifungal agents, anticancer agents, and enzyme inhibitors associated with cardiovascular disease. In agrochemicals, it can be used as a raw material for the synthesis of herbicides, fungicides and insecticides. Furthermore, 1H-1,2,4-Triazol-3-amine is used as a ligand in coordination chemistry and as a precursor for the production of new functional materials such as polymers and metal-organic frameworks.

1H-1,2,4-Triazol-3-amine (Standard)

Cell Assay Reagents

1H-1,2,4-Triazol-3-amine (Standard) is the analytical standard of 1H-1,2,4-Triazol-3-amine. This product is intended for research and analytical applications. 1H-1,2,4-Triazol-3-amine consists of a triazole ring system and an amino group attached to carbon atom 3. The compound has potential applications in various fields such as medicinal chemistry, agrochemicals and material science. In medicinal chemistry, 1H-1,2,4-Triazol-3-amine is used as a starting material for the synthesis of pharmaceutical compounds such as antifungal agents, anticancer agents, and enzyme inhibitors associated with cardiovascular disease. In agrochemicals, it can be used as a raw material for the synthesis of herbicides, fungicides and insecticides. Furthermore, 1H-1,2,4-Triazol-3-amine is used as a ligand in coordination chemistry and as a precursor for the production of new functional materials such as polymers and metal-organic frameworks.

Cat. No.	Product Name	Target	Research Area

HY-P1704

Cyclosporin E 11-Demethylcyclosporin A	Biochemical Assay Reagents	Infection
Cyclosporin E (11-Demethylcyclosporin A) is a cyclic oligopeptide that can be isolated from fungi such as TTrichoderma polysporum and other imperfect fungi. Cyclosporin E belongs to the Cyclosporins family. Cyclosporin E can be used for studying the structure-activity relationships and molecular dynamic properties of cyclosporin compounds. As a structural control compound, Cyclosporin E holds significant research value in the fields of medicinal chemistry and biophysics .

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-B0055

Azulene Cyclopentacycloheptene	Infection Natural Products Classification of Application Fields Source classification Distemonanthus benthamianus Baill. Plants Compositae Disease Research Fields	HIV
Azulene (Cyclopentacycloheptene) is as an isomer of naphthalene with high anti-HIV activity. Azulene, isolated from the distillation of chamomile oil, is a scaffold in medicinal chemistry .

HY-135492

O-Methylmoschatoline Liridine; Homomoschatoline	Alkaloids Other Alkaloids Source classification Plants Annonaceae Fissistigma oldhamii (Hemsl.) Merr.	Endogenous Metabolite
O-Methylmoschatoline (Liridine) is a compound with notable bioactivity, exhibiting potential applications in medicinal chemistry.

HY-B0055R

Azulene (Standard) Cyclopentacycloheptene (Standard)	Natural Products Source classification Distemonanthus benthamianus Baill. Plants Compositae	Reference Standards HIV
Azulene (Standard) is the analytical standard of Azulene. This product is intended for research and analytical applications. Azulene (Cyclopentacycloheptene) is as an isomer of naphthalene with high anti-HIV activity. Azulene, isolated from the distillation of chamomile oil, is a scaffold in medicinal chemistry .

HY-P1704

Cyclosporin E 11-Demethylcyclosporin A	Microorganisms Cyclopeptides Source classification	Biochemical Assay Reagents
Cyclosporin E (11-Demethylcyclosporin A) is a cyclic oligopeptide that can be isolated from fungi such as TTrichoderma polysporum and other imperfect fungi. Cyclosporin E belongs to the Cyclosporins family. Cyclosporin E can be used for studying the structure-activity relationships and molecular dynamic properties of cyclosporin compounds. As a structural control compound, Cyclosporin E holds significant research value in the fields of medicinal chemistry and biophysics .

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