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HIT212666873
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HIT212666873
  • HIT ID:HIT212666873
  • Cas No:2351218-72-7
  • 常用名:A-1210477-piperazinyl
  • 别名:PROTAC Mcl1-binding moiety 1
  • IUPAC:7-[5-({4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy}methyl)-1,3-dimethyl-1H-pyrazol-4-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
    IUPAC:7-[5-({4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy}methyl)-1,3-dimethyl-1H-pyrazol-4-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
  • InChI key:VWUONMOPYOMHCJ-UHFFFAOYSA-N
  • 分子式:C46H56N8O6S
  • 分子量:849.06
  • 氢键供体数 (HBD):2
  • 氢键受体数 (HBA):11
  • LogP:2.4857638
  • SMILES:CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCNCC4)c23)cc1
    SMILES:CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCNCC4)c23)cc1
  • A-1210477-piperazinyl is a compound that specifically targets and binds to the protein myeloid cell leukemia 1 (MCL1). This compound is utilized in PROTAC technology, which harnesses the ability to selectively degrade target proteins.
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