methyl 2-Methoxy-4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]-phenyl]-5-azaindol-1-yl]methyl]benzoate | 264883-50-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: methyl 2-Methoxy-4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]-phenyl]-5-azaindol-1-yl]methyl]benzoate
• 英文别名: methyl 2-methoxy-4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-5-azaindol-1-yl]methyl]benzoate；Methyl 2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-1-yl]methyl]benzoate
• CAS: 264883-50-3
• 化学式: C₂₉H₃₁N₃O₄
• 分子量: 485.583
• InChiKey: QJSSCJBSTURDTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  65.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-Methoxy-4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]-phenyl]-5-azaindol-1-yl]methyl]benzoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 1-[3-methoxy-4-(1-pyrrolidinylmethyl)benzyl]-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-5-azaindole
  参考文献：
  名称：

  1,2-disubstituted indole, azaindole and benzimidazole derivatives possessing amine moiety: a novel series of thrombin inhibitors

  摘要：

  A novel series of 1,2-disubstituted indole, azaindole and benzimidazole derivatives possessing an amine moiety was identified as thrombin inhibitors. An indole with basic diamine moieties (12a) was the most potent thrombin inhibitor in the series with K-ass = 197 x 10(6) L/mol. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00454-6
• 作为产物：
  描述：

  N-Methoxy-N-methyl-4-[2-(1-pyrrolidinyl)ethoxy]-benzamide 在 氢氧化钾 、 正丁基锂 作用下， 以 二甲基亚砜 为溶剂， 生成 methyl 2-Methoxy-4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]-phenyl]-5-azaindol-1-yl]methyl]benzoate
  参考文献：
  名称：

  1,2-disubstituted indole, azaindole and benzimidazole derivatives possessing amine moiety: a novel series of thrombin inhibitors

  摘要：

  A novel series of 1,2-disubstituted indole, azaindole and benzimidazole derivatives possessing an amine moiety was identified as thrombin inhibitors. An indole with basic diamine moieties (12a) was the most potent thrombin inhibitor in the series with K-ass = 197 x 10(6) L/mol. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00454-6

文献信息

• Antithrombotic agents
  申请人：Eli Lilly and Company

  公开号：US06359136B1

  公开（公告）日：2002-03-19

  This application relates to novel compounds of formula I (and their pharmaceutically acceptable salts), as defined herein, processes and intermediates for their preparation, pharmaceutical formulations comprising the novel compounds of formula I, and the use of the compounds of formula I as thrombin inhibitors.

  本申请涉及公式I的新化合物（及其药学上可接受的盐），如本文所定义的，用于制备这些化合物的过程和中间体，包含这些新化合物的药物配方，以及将公式I的化合物用作凝血酶抑制剂的用途。
• Azaindole derivatives and their use as antithrombotic agents
  申请人：ELI LILLY AND COMPANY

  公开号：EP0997465B1

  公开（公告）日：2004-02-04
• US6265416B1
  申请人：——

  公开号：US6265416B1

  公开（公告）日：2001-07-24
• US6359136B1
  申请人：——

  公开号：US6359136B1

  公开（公告）日：2002-03-19
• 1,2-disubstituted indole, azaindole and benzimidazole derivatives possessing amine moiety: a novel series of thrombin inhibitors
  作者：Kumiko Takeuchi、Jolie A Bastian、Donetta S Gifford-Moore、Richard W Harper、Shawn C Miller、Jeffrey T Mullaney、Daniel J Sall、Gerald F Smith、Minsheng Zhang、Matthew J Fisher

  DOI：10.1016/s0960-894x(00)00454-6

  日期：2000.10

  A novel series of 1,2-disubstituted indole, azaindole and benzimidazole derivatives possessing an amine moiety was identified as thrombin inhibitors. An indole with basic diamine moieties (12a) was the most potent thrombin inhibitor in the series with K-ass = 197 x 10(6) L/mol. (C) 2000 Elsevier Science Ltd. All rights reserved.