Name: Lapaquistat
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672020
Cas No:189059-71-0
常用名:Lapaquistat
别名:T-91485
IUPAC:2-(1-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}piperidin-4-yl)acetic acid
IUPAC:2-(1-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}piperidin-4-yl)acetic acid
InChI key:HDGUKVZPMPJBFK-LEAFIULHSA-N

分子式:C31H39ClN2O8
分子量:603.11
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:2.895677
SMILES:COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
SMILES:COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC

Lapaquistat is a cholesterol biosynthesis inhibitor and is the active metabolite of TAK-475. Lapaquistat can reduce statin-induced myotoxicity in lipid-lowering therapy.

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