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HIT218904005
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HIT218904005
  • HIT ID:HIT218904005
  • Cas No:
  • 常用名:DL002
  • IUPAC:{4-[(2S)-6-amino-2-[(2S)-2-{6-[4-(2-methanesulfonylpyrimidin-5-yl)-1H-1,2,3-triazol-1-yl]hexanamido}-3-methylbutanamido]hexanamido]phenyl}methyl (3R,5S)-1-[(2S)-2-(7-{4-[(3R)-3-{[4-({[4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)phenyl]formamido}sulfonyl)-2-trifluoromethanesulfonylphenyl]amino}-4-(phenylsulfanyl)butyl]piperazin-1-yl}-7-oxoheptanamido)-3,3-dimethylbutanoyl]-5-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-3-yl carbonate
    IUPAC:{4-[(2S)-6-amino-2-[(2S)-2-{6-[4-(2-methanesulfonylpyrimidin-5-yl)-1H-1,2,3-triazol-1-yl]hexanamido}-3-methylbutanamido]hexanamido]phenyl}methyl (3R,5S)-1-[(2S)-2-(7-{4-[(3R)-3-{[4-({[4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)phenyl]formamido}sulfonyl)-2-trifluoromethanesulfonylphenyl]amino}-4-(phenylsulfanyl)butyl]piperazin-1-yl}-7-oxoheptanamido)-3,3-dimethylbutanoyl]-5-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-3-yl carbonate
  • InChI key:ACPDZXNJSKMMDQ-JBUZQTGBSA-N
  • 分子式:C109H139ClF3N19O17S5
  • 分子量:2240.17
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)[C@H](NC(=O)CCCCCn1cc(nn1)-c1cnc(nc1)S(C)(=O)=O)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(COC(=O)O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)CCCCCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c3ccc(cc3)N3CCN(CC4=C(CCC(C)(C)C4)c4ccc(Cl)cc4)CC3)CC2)C(C)(C)C)C(=O)N[C@@H](C)c2ccc(cc2)-c2scnc2C)cc1
    SMILES:CC(C)[C@H](NC(=O)CCCCCn1cc(nn1)-c1cnc(nc1)S(C)(=O)=O)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(COC(=O)O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)CCCCCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c3ccc(cc3)N3CCN(CC4=C(CCC(C)(C)C4)c4ccc(Cl)cc4)CC3)CC2)C(C)(C)C)C(=O)N[C@@H](C)c2ccc(cc2)-c2scnc2C)cc1
  • DL002 是一种用于肿瘤研究的 ADC 连接子,专门设计用于合成含有 BCL-2 家族蛋白降解剂的抗体-药物偶联物。
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