Methyl 2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indol-1-yl]methyl]benzoate | 215584-15-9

• 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: Methyl 2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indol-1-yl]methyl]benzoate
• CAS: 215584-15-9
• 化学式: C₃₀H₃₂N₂O₄
• 分子量: 484.595
• InChiKey: PVNKDFKQJZFQSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indol-1-yl]methyl]benzoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到[2-Methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indol-1-yl]methyl]phenyl]methanol
  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-(2-羟乙基)-吡咯烷 在 sodium hydride 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 氯苯 为溶剂， 生成 Methyl 2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indol-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

• US6172100B1
  申请人：——

  公开号：US6172100B1

  公开（公告）日：2001-01-09
• 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.