Name: BM 957
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671073
Cas No:1391107-54-2
常用名:BM 957
IUPAC:5-(4-chlorophenyl)-1-ethyl-4-(3-{4-[4-(4-{[(2R)-4-(4-hydroxypiperidin-1-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonamido)phenyl]piperazin-1-yl}phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
IUPAC:5-(4-chlorophenyl)-1-ethyl-4-(3-{4-[4-(4-{[(2R)-4-(4-hydroxypiperidin-1-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonamido)phenyl]piperazin-1-yl}phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
InChI key:WQCBFZDVUJBJNR-RRHRGVEJSA-N

分子式:C52H56ClF3N6O7S3
分子量:1065.68
氢键供体数 (HBD):4
氢键受体数 (HBA):11
LogP:6.96639
SMILES:CCn1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
SMILES:CCn1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1

BM 957 is an effective Bcl-2 and Bcl-xL inhibitor (Kis: 1.2 and <1 nM; IC50s: 5.4 and 6.0 nM).

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