methyl 5-[[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | 1227962-37-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: methyl 5-[[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
• CAS: 1227962-37-9
• 化学式: C₁₆H₁₈N₆O₅
• 分子量: 374.356
• InChiKey: DPSLAXODFJHEIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methyl 5-[[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 5-[[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
  参考文献：
  名称：

  [EN] CC-1065 ANALOGS AND THEIR CONJUGATES
  [FR] NOUVEAUX ANALOGUES DE CC-1065 ET LEURS CONJUGUÉS

  摘要：

  公开号：

  WO2010062171A3
• 作为产物：
  描述：

  methyl 5-(prop-2-ynoylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate 、 2-(2-叠氮乙氧基)乙醇 在 copper(II) sulfate sodium ascorbate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 5-[[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
  参考文献：
  名称：

  [EN] CC-1065 ANALOGS AND THEIR CONJUGATES
  [FR] NOUVEAUX ANALOGUES DE CC-1065 ET LEURS CONJUGUÉS

  摘要：

  公开号：

  WO2010062171A3

文献信息

• CC-1065 ANALOGS AND THEIR CONJUGATES
  申请人：Syntarga B.V.

  公开号：EP2344478B1

  公开（公告）日：2017-09-27
• Novel cc-1065 Analogs and Their Conjugates
  申请人：Beusker Patrick Henry

  公开号：US20110207767A1

  公开（公告）日：2011-08-25

  This invention relates to novel analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and 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.
• US9815784B2
  申请人：——

  公开号：US9815784B2

  公开（公告）日：2017-11-14
• [EN] NOVEL CC-1065 ANALOGS AND THEIR CONJUGATES<br/>[FR] NOUVEAUX ANALOGUES DE CC-1065 ET LEURS CONJUGUÉS
  申请人：SYNTARGA BV

  公开号：WO2010062171A2

  公开（公告）日：2010-06-03

  This invention relates to novel analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and 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.
• [EN] CC-1065 ANALOGS AND THEIR CONJUGATES<br/>[FR] NOUVEAUX ANALOGUES DE CC-1065 ET LEURS CONJUGUÉS
  申请人：SYNTARGA BV

  公开号：WO2010062171A3

  公开（公告）日：2013-03-14