Name: ABC34
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322126
Cas No:1831135-56-8
常用名:ABC34
IUPAC:1,3-dioxo-7-[(4-phenoxyphenyl)methyl]-octahydroimidazo[1,5-a]pyrazin-2-yl 4-(4-methoxyphenyl)piperazine-1-carboxylate
IUPAC:1,3-dioxo-7-[(4-phenoxyphenyl)methyl]-octahydroimidazo[1,5-a]pyrazin-2-yl 4-(4-methoxyphenyl)piperazine-1-carboxylate
InChI key:JJXNIRULKJQOCI-UHFFFAOYSA-N

分子式:C31H33N5O6
分子量:571.634
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(cc1)N1CCN(CC1)C(=O)ON1C(=O)C2CN(Cc3ccc(Oc4ccccc4)cc3)CCN2C1=O
SMILES:COc1ccc(cc1)N1CCN(CC1)C(=O)ON1C(=O)C2CN(Cc3ccc(Oc4ccccc4)cc3)CCN2C1=O

ABC34 is an inactive control probe for JJH260 , the inhibitor of androgen-induced gene 1 (AIG1), an enzyme that hydrolyzes fatty acid esters of hydroxy fatty acids (FAHFAs). ABC34 demonstrates an IC50 value greater than 25 μM for the inhibition of 9-PAHSA but is more potent in blocking the serine hydrolase ABHD6 and the palmitoyl-protein hydrolase PPT1, which are both off-targets of JJH260.

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