(S)-N-(2-(1-(Chloromethyl)-5-hydroxy-2,3-dihydro-1H-benzo[e]indole-3-carbonyl)-1H-indol-5-yl)-5-(3-mercaptopropanamido)-1H-indole-2-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (S)-N-(2-(1-(Chloromethyl)-5-hydroxy-2,3-dihydro-1H-benzo[e]indole-3-carbonyl)-1H-indol-5-yl)-5-(3-mercaptopropanamido)-1H-indole-2-carboxamide
• 英文别名: N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-5-(3-sulfanylpropanoylamino)-1H-indole-2-carboxamide
• 化学式: C₃₄H₂₈ClN₅O₄S
• 分子量: 638.1
• InChiKey: ZASLXALGERLDLT-HXUWFJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  45
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  131
• 氢给体数：
  6
• 氢受体数：
  5

文献信息

• Improved prodrugs of CC-1065 analogs
  申请人：Sanofi-Aventis

  公开号：EP1832577A1

  公开（公告）日：2007-09-12

  Prodrugs of analogs of the anti-tumor antibiotic CC-1065 having a cleavable protective group containing a sulfonic acid containing phenyl carbamate, in which the protecting group confers enhanced water solubility upon the prodrug, and in which the prodrug also has a moiety, such as a sulfide or a disulfide, that can conjugate to a cell binding reagent such as an antibody. The therapeutic use of such prodrug conjugates is also described; such prodrugs of cytotoxic agents have therapeutic use because they can deliver cytotoxic prodrugs to a specific cell population for enzymatic conversion to cytoxic drugs in a targeted fashion.

  抗肿瘤抗生素CC-1065的类似物的前药具有可切割的保护基，其中保护基包含含有磺酸基的苯基氨基甲酸酯，保护基赋予前药增强的水溶性，并且前药还具有一种基团，例如硫化物或二硫化物，可以与细胞结合试剂（例如抗体）结合。还描述了这种前药偶联物的治疗用途；这种细胞毒素前药的前药具有治疗用途，因为它们可以以靶向的方式将细胞毒素前药传递到特定的细胞群体，以进行酶促转化为细胞毒素药物。
• PRODRUGS OF CC-A1065 ANALOGS
  申请人：Zhao Robert

  公开号：US20090028821A1

  公开（公告）日：2009-01-29

  The present invention provides prodrugs of analogs of the anti-tumor antibiotic CC-1065 having a cleavable protective group containing a sulfonic acid containing phenyl carbamate, in which the protecting group confers enhanced water solubility upon the prodrug, and in which the prodrug also has a moiety, such as a sulfide or a disulfide, that can conjugate to a cell binding reagent such as an antibody, and for the therapeutic use of such prodrug and conjugates, and for processes for preparing such prodrugs and conjugates.

  本发明提供了抗肿瘤抗生素CC-1065的类似物前药物，其具有可切割的保护基，其中包含含苯基氨基甲酸磺酸，保护基使前药物具有增强的水溶性，并且前药物还具有一种基团，例如硫醚或二硫化物，可以与细胞结合试剂（如抗体）结合，以及使用这种前药物和结合物进行治疗的方法，以及制备这种前药物和结合物的过程。
• PRODRUGS OF CC-1065 ANALOGS
  申请人：ZHAO Robert

  公开号：US20110280890A1

  公开（公告）日：2011-11-17

  The present invention provides prodrugs of analogs of the anti-tumor antibiotic CC-1065 having a cleavable protective group containing a sulfonic acid containing phenyl carbamate, in which the protecting group confers enhanced water solubility upon the prodrug, and in which the prodrug also has a moiety, such as a sulfide or a disulfide, that can conjugate to a cell binding reagent such as an antibody, and for the therapeutic use of such prodrug and conjugates, and for processes for preparing such prodrugs and conjugates.

  本发明提供了CC-1065抗肿瘤抗生素类似物的前药，其中包含一种可剪除的保护基，该保护基含有含磺酸基的苯基氨基甲酸酯，该保护基赋予前药增强的水溶性，并且该前药还具有一种基团，例如硫醚或二硫醚，可以与细胞结合试剂（例如抗体）结合，并用于这种前药和结合物的治疗用途，以及制备这种前药和结合物的过程。
• US7329760B2
  申请人：——

  公开号：US7329760B2

  公开（公告）日：2008-02-12
• US8012978B2
  申请人：——

  公开号：US8012978B2

  公开（公告）日：2011-09-06