Name: S65487 sulfate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323478
Cas No:2416937-01-2
常用名:S65487 sulfate
别名:VOB560 sulfate
IUPAC:5-{5-chloro-2-[(3S)-3-[(morpholin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]phenyl}-N-(5-cyano-1,2-dimethyl-1H-pyrrol-3-yl)-N-(4-hydroxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxamide; sulfuric acid
IUPAC:5-{5-chloro-2-[(3S)-3-[(morpholin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]phenyl}-N-(5-cyano-1,2-dimethyl-1H-pyrrol-3-yl)-N-(4-hydroxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxamide; sulfuric acid
InChI key:ZLAZYXMNPRHARH-WAQYZQTGSA-N

分子式:C41H43ClN6O8S
分子量:815.34
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OS(O)(=O)=O.Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
SMILES:OS(O)(=O)=O.Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1

S65487 (VOB560) sulfate, a potent and selective Bcl-2 inhibitor, demonstrates activity against BCL-2 mutations, including G101V and D103Y. It exhibits poor affinity for MCL-1, BFL-1, and BCL-XL. Additionally, S65487 sulfate induces apoptosis and possesses anticancer activities.

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