prop-2-enyl (6S,6aS)-3-[3-[[(6S,6aS)-6-hydroxy-2-methoxy-5-[[4-[[[(2S,6S)-7-methyl-3,5-dioxo-6-(prop-2-enoxycarbonylamino)octan-2-yl]amino]methylamino]phenyl]methoxycarbonyl]-11-oxo-8-[(E)-prop-1-enyl]-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-6-hydroxy-2-methoxy-11-oxo-8-[(E)-prop-1-enyl]-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: prop-2-enyl (6S,6aS)-3-[3-[[(6S,6aS)-6-hydroxy-2-methoxy-5-[[4-[[[(2S,6S)-7-methyl-3,5-dioxo-6-(prop-2-enoxycarbonylamino)octan-2-yl]amino]methylamino]phenyl]methoxycarbonyl]-11-oxo-8-[(E)-prop-1-enyl]-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-6-hydroxy-2-methoxy-11-oxo-8-[(E)-prop-1-enyl]-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
• 化学式: C₆₁H₇₃N₇O₁₆
• 分子量: 1160.3
• InChiKey: DFONDNHHLXAISP-JKDAZNEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  84
• 可旋转键数：
  29
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  274
• 氢给体数：
  5
• 氢受体数：
  18

文献信息

• HUMANIZED ANTI-TN-MUC1 ANTIBODIES AND THEIR CONJUGATES
  申请人：ADC THERAPEUTICS S.A.

  公开号：US20170267778A1

  公开（公告）日：2017-09-21

  Humanized anti-Tn-MUC1 antibodies and conjugates thereof. Conjugates comprising pyrrolobenzodiazepines (PBDs) having a labile protecting group in the form of a linker to the antibody are described.
• [EN] NOVEL ANTIBODY CONJUGATES AND USES THEREOF<br/>[FR] NOUVEAUX CONJUGUÉS ANTICORPS ET LEURS UTILISATIONS
  申请人：STEM CENTRX INC

  公开号：WO2014130879A2

  公开（公告）日：2014-08-28

  Provided are novel antibody drug conjugates (ADCs), and methods of using such ADCs to treat proliferative disorders.