4-(6-hydroxy-1-methyl-1H-indole-2-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester | 1150742-62-3

• 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: 4-(6-hydroxy-1-methyl-1H-indole-2-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-(6-hydroxy-1-methylindole-2-carbonyl)piperazine-1-carboxylate
• CAS: 1150742-62-3
• 化学式: C₁₉H₂₅N₃O₄
• 分子量: 359.425
• InChiKey: FELCGFCUJCGOAV-UHFFFAOYSA-N

物化性质

• 沸点：
  564.3±50.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  75
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氯-5-硝基吡啶 、 4-(6-hydroxy-1-methyl-1H-indole-2-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-[1-methyl-6-(5-nitropyridin-2-yloxy)-1H-indole-2-carbonyl]piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF
  [FR] COMPOSÉ HÉTÉROCYCLIQUE ET COMPOSITION PHARMACEUTIQUE CONTENANT LEDIT COMPOSÉ

  摘要：

  公开号：

  WO2009057811A3
• 作为产物：
  描述：

  6-hydroxy-N-methylindole-2-carboxylic acid 、 N-Boc-哌嗪 在 1-羟基苯并三唑 、 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， 生成 4-(6-hydroxy-1-methyl-1H-indole-2-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF
  [FR] COMPOSÉ HÉTÉROCYCLIQUE ET COMPOSITION PHARMACEUTIQUE CONTENANT LEDIT COMPOSÉ

  摘要：

  公开号：

  WO2009057811A3

文献信息

• HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF
  申请人：Sumida Takumi

  公开号：US20100261720A1

  公开（公告）日：2010-10-14

  The present invention provides a heterocyclic compound represented by General Formula (1): wherein R 1 is a group R 5 —Z 1 —, etc., Z 1 is a lower alkylene group, etc., and R 5 is a group represented by General Formula; wherein R 13 is a hydrogen atom, etc., m is an integer from 1 to 5; R 2 is a hydrogen atom: Y is CH or N: A 1 is a heterocyclic ring selected from the group consisting of indolediyl groups, wherein the heterocyclic ring may have at least one substituent: T is a group —CO—, etc.: R 3 is a hydrogen atom, etc.: R 4 is a lower alkyl group optionally substituted by one or more hydroxy groups, etc.: R 3 and R 4 , together with the nitrogen atom to which they bind, may bind to each other and form a 5- to 10-membered saturated heterocyclic ring, wherein the heterocyclic ring may have at least one substituent. The heterocyclic compound of the present invention has excellent effects of suppressing the production of collagen and/or treating tumors.

  本发明提供一种由通式(1)表示的杂环化合物：其中R1为R5-Z1-等基团，Z1为低碳烷基等，而R5则为通式所表示的基团；其中R13为氢原子等，m为1到5的整数；R2为氢原子；Y为CH或N；A1为选自吲哚二基基团等的杂环环；其中该杂环环可以具有至少一个取代基；T为-CO-等基团；R3为氢原子等；R4为低碳基基团，可以选择性地被一个或多个羟基取代等；R3和R4与它们所结合的氮原子一起可以结合成一个5-到10-成员的饱和杂环环，其中该杂环环可以具有至少一个取代基。本发明的杂环化合物具有抑制胶原蛋白产生和/或治疗肿瘤的优异效果。
• Heterocyclic compound and pharmaceutical composition thereof
  申请人：Sumida Takumi

  公开号：US08551999B2

  公开（公告）日：2013-10-08

  The present invention provides a heterocyclic compound represented by General Formula (1): wherein R1 is a group R5—Z1—, etc., Z1 is a lower alkylene group, etc., and R5 is a group represented by General Formula; wherein R13 is a hydrogen atom, etc., m is an integer from 1 to 5; R2 is a hydrogen atom: Y is CH or N: A1 is a heterocyclic ring selected from the group consisting of indolediyl groups, wherein the heterocyclic ring may have at least one substituent: T is a group —CO—, etc.: R3 is a hydrogen atom, etc.: R4 is a lower alkyl group optionally substituted by one or more hydroxy groups, etc.: R3 and R4, together with the nitrogen atom to which they bind, may bind to each other and form a 5- to 10-membered saturated heterocyclic ring, wherein the heterocyclic ring may have at least one substituent. The heterocyclic compound of the present invention has excellent effects of suppressing the production of collagen and/or treating tumors.

  本发明提供了一种由通式（1）表示的杂环化合物：其中R1是R5-Z1-等基团，Z1是较低的烷基链等，R5是由通式表示的基团；其中R13是氢原子等，m是1到5的整数；R2是氢原子；Y是CH或N；A1是从吲哚二基基团等中选择的杂环环；其中杂环环可以具有至少一个取代基；T是-CO-等基团；R3是氢原子等；R4是较低的烷基链，可以选择性地被一个或多个羟基取代等；R3和R4与它们所结合的氮原子一起，可以相互结合并形成5-到10-成员的饱和杂环环，其中杂环环可以具有至少一个取代基。本发明的杂环化合物具有抑制胶原蛋白产生和/或治疗肿瘤的优异效果。
• US8551999B2
  申请人：——

  公开号：US8551999B2

  公开（公告）日：2013-10-08