methyl 4-[3-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-[4-(4-methylpiperazin-1-yl)phenyl]-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N-methylanilino]-4-oxobutanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: methyl 4-[3-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-[4-(4-methylpiperazin-1-yl)phenyl]-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N-methylanilino]-4-oxobutanoate
• 化学式: C₅₂H₅₇N₇O₉
• 分子量: 924.0
• InChiKey: QHTOKPBEZQCAHV-ZAQUEYBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  68
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  155
• 氢给体数：
  1
• 氢受体数：
  13

文献信息

• CYTOTOXIC BENZODIAZEPINE DERIVATIVES AND METHODS OF PREPARATION
  申请人：Chari Ravi V.J.

  公开号：US20140088089A1

  公开（公告）日：2014-03-27

  The invention relates to novel benzodiazepine derivatives with antiproliferative activity and more specifically to novel benzodiazepine compounds, such as those in formulas (V)-(VII). The invention also provides conjugates of the benzodiazepine compounds linked to a cell-binding agent. The invention further provides compositions and methods useful for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the compounds or conjugates of the invention. The present invention is further directed to methods of preparing a conjugate of a cell-binding agent and a cytotoxic compound. The methods comprise the use of an imine reactive compound to enable efficient conjugations of cytotoxic compounds with cell binding agents.

  本发明涉及具有抗增殖活性的新型苯二氮平衍生物，更具体地涉及新型苯二氮平化合物，例如公式（V）-（VII）中的化合物。本发明还提供了与细胞结合剂连接的苯二氮平化合物的结合物。本发明还提供了使用本发明的化合物或结合物抑制异常细胞生长或治疗哺乳动物增殖性疾病的组合物和方法。本发明还进一步涉及制备细胞结合剂和细胞毒性化合物的结合物的方法。该方法包括使用亚胺反应性化合物，以实现细胞毒性化合物与细胞结合剂的高效结合。