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toxic assessment

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By Targets:	Drug Intermediate (1) Drug Metabolite (1)

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Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-N7402

Hexyl hexanoate	Others	Others
Hexyl hexanoate is a fruit aroma component with potential food and beverage additive activity. Hexyl hexanoate is found in alcoholic beverages and is used to blend fruit flavors. Hexyl hexanoate is present in many fruits, Parmesan cheese, alcoholic beverages, and black tea. Hexyl hexanoate is a volatile component produced as a result of fruit ripening. Toxicity assessments of hexyl hexanoate showed that it is not mutagenic and that exposure is below safety thresholds for repeated dose, reproduction, and local respiratory toxicity. Hexyl hexanoate is also below thresholds in skin sensitization assessments, and for phototoxicity and photosensitization, the results showed that it does not present a relevant risk. Hexyl hexanoate is considered non-persistent, non-bioaccumulative, and non-toxic according to the environmental criteria of the International Fragrance Association .

HY-32952

2-Fluoropyridine-5-boronic acid 6-Fluoropyridine-3-boronic acid	Drug Intermediate	Others
2-Fluoropyridine-5-boronic acid (6-Fluoropyridine-3-boronic acid) is a drug intermediate that can be used in the synthesis of fatty acid amide hydrolase inhibitors and pyrethroid derivatives .

HY-N15717

(erythro) 1′,2′-Dihydroxyasarone	Drug Metabolite	Others
(erythro) 1′,2′-Dihydroxyasarone is a metabolite of Beta-asarone (HY-N1501) and can also be isolated from the roots of Acorus tatarinowii. (erythro) 1′,2′-Dihydroxyasarone can form glucuronic acid conjugates in vivo and be excreted in urine. (erythro) 1′,2′-Dihydroxyasarone can serve as a marker for the metabolism and toxic risk assessment of Beta-asarone .

Cat. No.	Product Name

HY-L076

Drug-Induced Liver Injury (DILI) Compound Library	1,480 compounds
Drug-induced liver injury (DILI; also known as drug-induced hepatotoxicity) is caused by medications (prescription or OTC), herbal and dietary supplements (HDS), or other xenobiotics that result in abnormalities in liver tests or in hepatic dysfunction that cannot be explained by other causes. Drugs are an important cause of liver injury. Drug-induced hepatic injury is the most common reason cited for withdrawal of an approved drug. DILI is thought to occur via several different mechanisms. Among these are direct impairment of the structural (e.g., mitochondrial dysfunction) and functional integrity of the liver; production of a metabolite that alters hepatocellular structure and function; production of a reactive drug metabolite that binds to hepatic proteins to produce new antigenic drug-protein adducts, which are targeted by hosts’ defenses (the hapten hypothesis); and initiation of a systemic hypersensitivity response (i.e., drug allergy) that damages the liver. MCE Drug-induced Liver Injury (DILI) Compound Library contains a unique collection of 1,480 hepatotoxicity causing compounds and is a powerful tool to research DILI and other drug toxicities. This library can be used to understand the mechanisms of DILI, identify biomarkers for early DILI prediction, and allow timely recognition during drug development, thus finally achieving successful DILI prevention and assessment in the pre-marketing phase.

Drug-Induced Liver Injury (DILI) Compound Library

1,480 compounds

Drug-induced liver injury (DILI; also known as drug-induced hepatotoxicity) is caused by medications (prescription or OTC), herbal and dietary supplements (HDS), or other xenobiotics that result in abnormalities in liver tests or in hepatic dysfunction that cannot be explained by other causes. Drugs are an important cause of liver injury. Drug-induced hepatic injury is the most common reason cited for withdrawal of an approved drug.

DILI is thought to occur via several different mechanisms. Among these are direct impairment of the structural (e.g., mitochondrial dysfunction) and functional integrity of the liver; production of a metabolite that alters hepatocellular structure and function; production of a reactive drug metabolite that binds to hepatic proteins to produce new antigenic drug-protein adducts, which are targeted by hosts’ defenses (the hapten hypothesis); and initiation of a systemic hypersensitivity response (i.e., drug allergy) that damages the liver.

MCE Drug-induced Liver Injury (DILI) Compound Library contains a unique collection of 1,480 hepatotoxicity causing compounds and is a powerful tool to research DILI and other drug toxicities. This library can be used to understand the mechanisms of DILI, identify biomarkers for early DILI prediction, and allow timely recognition during drug development, thus finally achieving successful DILI prevention and assessment in the pre-marketing phase.

2-Fluoropyridine-5-boronic acid 6-Fluoropyridine-3-boronic acid	Biochemical Assay Reagents
2-Fluoropyridine-5-boronic acid (6-Fluoropyridine-3-boronic acid) is a drug intermediate that can be used in the synthesis of fatty acid amide hydrolase inhibitors and pyrethroid derivatives .

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-N7402

Hexyl hexanoate	Natural Products Animals Source classification	Others
Hexyl hexanoate is a fruit aroma component with potential food and beverage additive activity. Hexyl hexanoate is found in alcoholic beverages and is used to blend fruit flavors. Hexyl hexanoate is present in many fruits, Parmesan cheese, alcoholic beverages, and black tea. Hexyl hexanoate is a volatile component produced as a result of fruit ripening. Toxicity assessments of hexyl hexanoate showed that it is not mutagenic and that exposure is below safety thresholds for repeated dose, reproduction, and local respiratory toxicity. Hexyl hexanoate is also below thresholds in skin sensitization assessments, and for phototoxicity and photosensitization, the results showed that it does not present a relevant risk. Hexyl hexanoate is considered non-persistent, non-bioaccumulative, and non-toxic according to the environmental criteria of the International Fragrance Association .

HY-N15717

(erythro) 1′,2′-Dihydroxyasarone	Natural Products Araceae Source classification Acorus gramineus Soland. Plants	Drug Metabolite
(erythro) 1′,2′-Dihydroxyasarone is a metabolite of Beta-asarone (HY-N1501) and can also be isolated from the roots of Acorus tatarinowii. (erythro) 1′,2′-Dihydroxyasarone can form glucuronic acid conjugates in vivo and be excreted in urine. (erythro) 1′,2′-Dihydroxyasarone can serve as a marker for the metabolism and toxic risk assessment of Beta-asarone .

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