[(1S)-1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone | 1111695-61-4

• 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: [(1S)-1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
• CAS: 1111695-61-4
• 化学式: C₂₆H₂₅ClN₂O₅
• 分子量: 480.948
• InChiKey: ICURXPCPWSHIQL-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 5,6,7-三甲氧基-1H-吲哚-2-羧酸 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 [(1S)-1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
  参考文献：
  名称：

  [EN] SUBSTITUTED CC-1065 ANALOGS AND THEIR CONJUGATES
  [FR] ANALOGUES CC-1065 SUBSTITUÉS ET LEURS CONJUGUÉS

  摘要：

  本发明涉及一种与DNA-烷基化剂CC-1065类似的新型剂，以及它们的共轭物。此外，本发明涉及用于制备所述剂和它们的共轭物的中间体。共轭物被设计为在一个或多个激活步骤后释放它们的（多个）有效载荷和/或由共轭物控制的速率和时间跨度，以有选择地传递和/或可控释放一个或多个所述的DNA烷基化剂。这些剂、共轭物和中间体可用于治疗其特征为不受欢迎的（细胞）增殖的疾病。例如，本发明的剂和共轭物可用于治疗肿瘤。

  公开号：

  WO2009017394A1

文献信息

• Substituted CC-1065 Analogs and Their Conjugates
  申请人：Beusker Patrick Henry

  公开号：US20110065767A1

  公开（公告）日：2011-03-17

  This invention relates to novel agents that are analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and their conjugates. The conjugates are designed to release their (multiple) payload after one or more activation steps and/or at a rate and time span controlled by the conjugate in order to selectively deliver and/or controllably release one or more of said DNA alkylating agents. The agents, conjugates, and intermediates can be used to treat an illness that is characterized by undesired (cell) proliferation. As an example, the agents and the conjugates of this invention may be used to treat a tumor.
• SUBSTITUTED CC-1065 ANALOGS AND THEIR CONJUGATES
  申请人：BEUSKER Patrick Henry

  公开号：US20150216844A1

  公开（公告）日：2015-08-06

  This invention relates to novel agents that are analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and their conjugates. The conjugates are designed to release their (multiple) payload after one or more activation steps and/or at a rate and time span controlled by the conjugate in order to selectively deliver and/or controllably release one or more of said DNA alkylating agents. The agents, conjugates, and intermediates can be used to treat an illness that is characterized by undesired (cell) proliferation. As an example, the agents and the conjugates of this invention may be used to treat a tumor.
• US8680293B2
  申请人：——

  公开号：US8680293B2

  公开（公告）日：2014-03-25
• US9901567B2
  申请人：——

  公开号：US9901567B2

  公开（公告）日：2018-02-27
• [EN] SUBSTITUTED CC-1065 ANALOGS AND THEIR CONJUGATES<br/>[FR] ANALOGUES CC-1065 SUBSTITUÉS ET LEURS CONJUGUÉS
  申请人：SYNTARGA BV

  公开号：WO2009017394A1

  公开（公告）日：2009-02-05

  This invention relates to novel agents that are analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and their conjugates. The conjugates are designed to release their (multiple) payload after one or more activation steps and/or at a rate and time span controlled by the conjugate in order to selectively deliver and/or controllably release one or more of said DNA alkylating agents. The agents, conjugates, and intermediates can be used to treat an illness that is characterized by undesired (cell) proliferation. As an example, the agents and the conjugates of this invention may be used to treat a tumor.

  本发明涉及一种与DNA-烷基化剂CC-1065类似的新型剂，以及它们的共轭物。此外，本发明涉及用于制备所述剂和它们的共轭物的中间体。共轭物被设计为在一个或多个激活步骤后释放它们的（多个）有效载荷和/或由共轭物控制的速率和时间跨度，以有选择地传递和/或可控释放一个或多个所述的DNA烷基化剂。这些剂、共轭物和中间体可用于治疗其特征为不受欢迎的（细胞）增殖的疾病。例如，本发明的剂和共轭物可用于治疗肿瘤。