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Results for "

covalent modification

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Amyloid-β (1) Antibiotic (1) Autophagy (3) Btk (1) CRM1 (1) Dipeptidyl Peptidase (1) DNA Alkylator/Crosslinker (1) DNA Methyltransferase (1) EGFR (1) Fungal (1) Influenza Virus (2) Isocitrate Dehydrogenase (IDH) (1) MDM-2/p53 (1) Microtubule/Tubulin (1) NF-κB (2) Parasite (2) Ras (1) SARS-CoV (2) TRP Channel (1)
By Research Areas:	Cancer (10) Infection (3) Inflammation/Immunology (3) Metabolic Disease (1) Neurological Disease (3)
Click Chemistry:	Alkynes (1)

Inhibitors & Agonists

Screening Libraries

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Click Chemistry

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-121539

Supercinnamaldehyde	TRP Channel	Neurological Disease
Supercinnamaldehyde is a potent transient receptor potential ankyrin 1 (TRPA1) activator with an EC₅₀ value of 0.8 μM. Supercinnamaldehyde activates TRPA1 ion channels through covalent modification of cysteines .

HY-13943

CNX-774 1 Publications Verification	Btk	Cancer
CNX-774 is an orally active, irreversible and selective BTK inhibitor, with an IC₅₀ of < 1 nM. CNX-774 specifically targets Cysteine 481 of Btk for covalent modification .

HY-128522

ARS-1323-alkyne	Ras	Cancer
ARS-1323-alkyne is a covalent inhibitor probe that covalently binds to the Switch-II pocket (S-IIP) of the KRAS G12C mutant protein. ARS-1323-alkyne visualizes the covalent modification of KRAS G12C and quantitatively measures the binding efficiency of the inhibitor to the target. ARS-1323-alkyne can be used to validate the target occupancy of KRAS G12C inhibitors and the synergistic mechanism of combination therapy, providing tool support for the development of combination treatment strategies .

HY-U00447

PK11000	MDM-2/p53 DNA Alkylator/Crosslinker	Cancer
PK11000 is an alkylating agent, and stabilizes the DNA-binding domain of both WT and mutant p53 proteins by covalent cysteine modification without compromising DNA binding. PK11000 has anti-tumor activities .

HY-16909

Leptomycin B 5+ Cited Publications CI 940; LMB	CRM1 Fungal Antibiotic	Infection Cancer
Leptomycin B (CI 940; LMB) is a potent inhibitor of the nuclear export of proteins. Leptomycin B inactivates CRM1/exportin 1 by covalent modification at a cysteine residue. Leptomycin B is a potent antifungal antibiotic blocking the eukaryotic cell cycle .

HY-N0191

Andrographolide Maximum Cited Publications 21 Publications Verification Andrographis	NF-κB SARS-CoV Influenza Virus Autophagy Parasite	Infection Inflammation/Immunology Cancer
Andrographolide is a NF-κB inhibitor, which inhibits NF-κB activation through covalent modification of a cysteine residue on p50 in endothelial cells without affecting IκBα degradation or p50/p65 nuclear translocation. Andrographolide has antiviral effects.

HY-N0191R

Andrographolide (Standard)	NF-κB SARS-CoV Influenza Virus Autophagy Parasite	Infection Inflammation/Immunology Cancer
Andrographolide (Standard) is the analytical standard of Andrographolide. This product is intended for research and analytical applications. Andrographolide is a NF-κB inhibitor, which inhibits NF-κB activation through covalent modification of a cysteine residue on p50 in endothelial cells without affecting IκBα degradation or p50/p65 nuclear translocation. Andrographolide has antiviral effects.

HY-119390

AA-CW236	DNA Methyltransferase	Cancer
AA-CW236 is a MGMT (O6-methylguanine DNA methyltransferase) inhibitor. AA-CW236 targets MGMT active site Cys145 for covalent modification .

HY-137028

2′-Thioadenosine PD157432	EGFR	Cancer
2'-Thioadenosine (PD157432) is a selective and irreversible inhibitor of ErbB-1 and ErbB-2, with an IC₅₀ of 45 µM for ErbB-2. 2'-Thioadenosine covalently inactivates ErbB-1 via modification of a cysteine residue at the active site .

HY-176000

Sulphostin	Dipeptidyl Peptidase	Inflammation/Immunology Cancer
Sulphostin is a covalent inhibitor of dipeptidyl peptidase 4 (DPP4), dipeptidyl peptidase 9 (DPP9), and dipeptidyl peptidase 8 (DPP8) with IC₅₀ values of 79, 1392, 6930 nM, respectively. Sulphostin causes phosphosulfamate modification, irreversibly inhibits the enzyme activity. Sulphostin can be used for inflammation and cancer study .

HY-128661

IDH1 Inhibitor 2 1 Publications Verification	Isocitrate Dehydrogenase (IDH)	Metabolic Disease
IDH1 Inhibitor 2 (compound 13) is a potent wild-type IDH1 inhibitor that exerts its activity through covalent modification of His315 with an IC₅₀ value of 110 nM. IDH1 Inhibitor 2 can dose-dependently reduce the intracellular reduced glutamine metabolic flux, thereby affecting cellular metabolic homeostasis. IDH1 Inhibitor 2 can be used to study the role of IDH1 in cellular metabolic regulation and cancer development .

HY-128892

EN6 3 Publications Verification	Autophagy	Neurological Disease
EN6 is a small-molecule in vivo autophagy activator that covalently targets cysteine 277 in the ATP6V1A subunit of the lysosomal v-ATPase. EN6-mediated modification of ATP6V1A uncouples v-ATPase from Rag, leading to inhibition of mTORC1 signalling, increased lysosomal acidification, and activation of autophagy. EN6 also scavenges TDP-43 aggregates (causative agents of frontotemporal dementia) in a lysosome-dependent manner .

HY-163105

Tubulin/NEDDylation-IN-1	Microtubule/Tubulin	Cancer
Tubulin/NEDDylation-IN-1 (compound C11) is a dual inhibitor of tubulin (Microtubule/Tubulin)-NEDDylation (IC₅₀ for tubulin=2.40 μM), which has strong anti-proliferative activity. Neddylation is a protein post-translational modification that covalently tags the ubiquitin-like protein NEDD8 to target proteins. Tubulin/NEDDylation-IN-1 forms hydrogen bonds with residues of tubulin and E1 NEDD8 activating enzyme (NAE) through methoxy and dithiocarbamate groups and inhibits NEDDylation and microtubulin in an ATP-dependent manner. tube polymerization .

HY-126192

Pittsburgh Compound B PiB; 6-OH-BTA-1	Amyloid-β	Neurological Disease
Pittsburgh Compound B (PiB) is a PET tracer for Aβ deposition in Alzheimer's disease (AD), with high affinity and specificity. Through click chemistry modification (introducing a PEG3 linker and an alkyne group at the 6-hydroxy position of Pittsburgh Compound B to generate a clickable Pittsburgh Compound B derivative, followed by covalent conjugation with azide-labeled fluorescent dyes or affinity tags via copper-catalyzed azide-alkyne cycloaddition (CuAAC)), Pittsburgh Compound B and its conjugates can be used for fluorescence imaging, ultrastructural studies, and the enrichment and characterization of Aβ complexes. Pittsburgh Compound B holds great potential in Alzheimer's disease research .

Cat. No.	Product Name

HY-L909

Covalent Fragment Library	8,816 compounds
Covalent inhibitors are small molecules that can bind specifically to target proteins through covalent bonds and inhibit their biological functions. Although for a long time, covalent targeting has been playing a subordinate role in drug discovery, with an increasing number of reports on successful clinical applications of such drugs, the potential of these agents is now being acknowledged. Covalent ligands rely on reactive groups (“warheads”), and new warheads are key to expanding the scope of covalent modalities. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 8,900 fragment molecules with covalent modification potential, which can target various reactive amino acid residues and can be used for fragment-based covalent drug discovery.

Covalent Fragment Library

8,816 compounds

Covalent inhibitors are small molecules that can bind specifically to target proteins through covalent bonds and inhibit their biological functions. Although for a long time, covalent targeting has been playing a subordinate role in drug discovery, with an increasing number of reports on successful clinical applications of such drugs, the potential of these agents is now being acknowledged.

Covalent ligands rely on reactive groups (“warheads”), and new warheads are key to expanding the scope of covalent modalities. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 8,900 fragment molecules with covalent modification potential, which can target various reactive amino acid residues and can be used for fragment-based covalent drug discovery.

HY-L024

Histone Modification Research Compound Library	767 compounds
A histone modification, a covalent post-translational modification (PTM) to histone proteins, includes methylation, phosphorylation, acetylation, ubiquitylation, and sumoylation, etc. In general, histone modifications are catalyzed by specific enzymes that act predominantly at the histone N-terminal tails involving amino acids such as lysine or arginine, as well as serine, threonine, tyrosine, etc. The PTMs made to histones can impact gene expression by altering chromatin structure or recruiting histone modifiers. Histone modifications act in diverse biological processes such as transcriptional activation/inactivation, chromosome packaging, and DNA damage/repair. Deregulation of histone modification contributes to many diseases, including cancer and autoimmune diseases. MCE owns a unique collection of 767 bioactive compounds targeting Epigenetic Reader Domain, HDAC, Histone Acetyltransferase, Histone Demethylase, Histone Methyltransferase, Sirtuin, etc. Histone Modification Research Compound Library is a useful tool for histone modification research and drug screening.

Histone Modification Research Compound Library

767 compounds

A histone modification, a covalent post-translational modification (PTM) to histone proteins, includes methylation, phosphorylation, acetylation, ubiquitylation, and sumoylation, etc. In general, histone modifications are catalyzed by specific enzymes that act predominantly at the histone N-terminal tails involving amino acids such as lysine or arginine, as well as serine, threonine, tyrosine, etc. The PTMs made to histones can impact gene expression by altering chromatin structure or recruiting histone modifiers. Histone modifications act in diverse biological processes such as transcriptional activation/inactivation, chromosome packaging, and DNA damage/repair. Deregulation of histone modification contributes to many diseases, including cancer and autoimmune diseases.

MCE owns a unique collection of 767 bioactive compounds targeting Epigenetic Reader Domain, HDAC, Histone Acetyltransferase, Histone Demethylase, Histone Methyltransferase, Sirtuin, etc. Histone Modification Research Compound Library is a useful tool for histone modification research and drug screening.

HY-L915

Lysine Focused Covalent Fragment Library	437 compounds
Lysine is the second most common target residue used in the design of TCIs and related covalent ligands. Its appeal lies in its abundance in human proteins, which is approximately three times higher than that of cysteine (5.8% vs. 1.9%). This significantly increases the number of proteins suitable for covalent targeting, especially given that many human proteins lack ligandable cysteine residues. Moreover, it has been suggested that functional lysines have a lower probability of being replaced by mutation, as they often play a crucial role in catalysis by acting as bases or nucleophiles. Additionally, lysines are essential for maintaining the structural integrity of proteins and for regulating post-translational modifications (PTMs). Consequently, targeting lysine has garnered significant interest in recent years. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 445 fragment molecules which can target lysine residue and can be used for fragment-based covalent drug discovery.

Lysine Focused Covalent Fragment Library

437 compounds

Lysine is the second most common target residue used in the design of TCIs and related covalent ligands. Its appeal lies in its abundance in human proteins, which is approximately three times higher than that of cysteine (5.8% vs. 1.9%). This significantly increases the number of proteins suitable for covalent targeting, especially given that many human proteins lack ligandable cysteine residues. Moreover, it has been suggested that functional lysines have a lower probability of being replaced by mutation, as they often play a crucial role in catalysis by acting as bases or nucleophiles. Additionally, lysines are essential for maintaining the structural integrity of proteins and for regulating post-translational modifications (PTMs). Consequently, targeting lysine has garnered significant interest in recent years.

Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 445 fragment molecules which can target lysine residue and can be used for fragment-based covalent drug discovery.

Andrographolide 20+ Cited Publications Andrographis	Infection Structural Classification Andrographis paniculata (Burm. F.) Nees Acanthaceae Classification of Application Fields Terpenoids Source classification Diterpenoids Plants Inflammation/Immunology Disease Research Fields	NF-κB SARS-CoV Influenza Virus Autophagy Parasite
Andrographolide is a NF-κB inhibitor, which inhibits NF-κB activation through covalent modification of a cysteine residue on p50 in endothelial cells without affecting IκBα degradation or p50/p65 nuclear translocation. Andrographolide has antiviral effects.

Andrographolide (Standard)	Structural Classification Andrographis paniculata (Burm. F.) Nees Acanthaceae Terpenoids Source classification Diterpenoids Plants	NF-κB SARS-CoV Influenza Virus Autophagy Parasite
Andrographolide (Standard) is the analytical standard of Andrographolide. This product is intended for research and analytical applications. Andrographolide is a NF-κB inhibitor, which inhibits NF-κB activation through covalent modification of a cysteine residue on p50 in endothelial cells without affecting IκBα degradation or p50/p65 nuclear translocation. Andrographolide has antiviral effects.

Cat. No.	Product Name		Classification

HY-128522

ARS-1323-alkyne		Alkynes
ARS-1323-alkyne is a covalent inhibitor probe that covalently binds to the Switch-II pocket (S-IIP) of the KRAS G12C mutant protein. ARS-1323-alkyne visualizes the covalent modification of KRAS G12C and quantitatively measures the binding efficiency of the inhibitor to the target. ARS-1323-alkyne can be used to validate the target occupancy of KRAS G12C inhibitors and the synergistic mechanism of combination therapy, providing tool support for the development of combination treatment strategies .

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