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HIT214321212
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HIT214321212
  • HIT ID:HIT214321212
  • Cas No:1619923-32-8
  • 常用名:BM-1244
  • IUPAC:1-[(3R)-3-[(4-{[4-(4-{3-[2-(4-chlorophenyl)-4-methanesulfonyl-5-methyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-5-fluorophenyl}piperazin-1-yl)phenyl]sulfamoyl}-2-trifluoromethanesulfonylphenyl)amino]-4-(phenylsulfanyl)butyl]piperidine-4-carboxylic acid
    IUPAC:1-[(3R)-3-[(4-{[4-(4-{3-[2-(4-chlorophenyl)-4-methanesulfonyl-5-methyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-5-fluorophenyl}piperazin-1-yl)phenyl]sulfamoyl}-2-trifluoromethanesulfonylphenyl)amino]-4-(phenylsulfanyl)butyl]piperidine-4-carboxylic acid
  • InChI key:OGHPBBHWAPIYHS-VZUYHUTRSA-N
  • 分子式:C54H59ClF4N6O8S4
  • 分子量:1159.78
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(CC3)C(O)=O)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O
    SMILES:CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(CC3)C(O)=O)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O
  • BM-1244 is a potent Bcl-xL/Bcl-2 inhibitor with Kis of 134 and 450 nM for Bcl- xL and Bcl-2, respectively. BM-1244 inhibits senescent fibroblasts (SnCs) with an EC50 of 5 nM[1].
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