3-(3-甲基吲哚-1-基)丙烷-1-胺 | 61985-39-5

• 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
• 中文名称: 3-(3-甲基吲哚-1-基)丙烷-1-胺
• 英文名称: 1-(3-Aminopropyl)-3-methylindol
• 英文别名: 3-(3-methyl-indol-1-yl)-propylamine；3-(3-Methyl-1H-indol-1-yl)propan-1-amine；3-(3-methylindol-1-yl)propan-1-amine
• CAS: 61985-39-5
• 化学式: C₁₂H₁₆N₂
• 分子量: 188.272
• InChiKey: OQUVEIGCTWOPNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  31
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(3-甲基吲哚-1-基)丙烷-1-胺 在 palladium on activated charcoal N-甲基吗啉 、 盐酸 、 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 {4-[(S)-2-Acetylamino-2-(1-{(S)-2-carbamoyl-1-[3-(3-methyl-indol-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-ethyl]-benzyl}-phosphonic acid
  参考文献：
  名称：

  Highly potent inhibitors of the Grb2-SH2 domain

  摘要：

  Highly potent inhibitors of the Grb2-SH2 domain have been synthesized. They share the common sequence: Ac-Pmp-Ac(6)c-Asn-NH-(3-indolyl-propyl). Different substituents at the 3-indolyl-propylamine C-terminal group were explored to further improve the activity. This is the first example of inhibitors of SH2 domains with sub-nanomolar affinity reported to date. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00701-x
• 作为产物：
  描述：

  3-(3-甲基-1H-1-吲哚)丙腈 在 镍 氢气 作用下， 以 甲醇 为溶剂， 生成 3-(3-甲基吲哚-1-基)丙烷-1-胺
  参考文献：
  名称：

  Highly potent inhibitors of the Grb2-SH2 domain

  摘要：

  Highly potent inhibitors of the Grb2-SH2 domain have been synthesized. They share the common sequence: Ac-Pmp-Ac(6)c-Asn-NH-(3-indolyl-propyl). Different substituents at the 3-indolyl-propylamine C-terminal group were explored to further improve the activity. This is the first example of inhibitors of SH2 domains with sub-nanomolar affinity reported to date. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00701-x

文献信息

• Basanagoudar, L D; Mahajanshetti, C S; Dambal, S B, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 11, p. 1018 - 1022
  作者：Basanagoudar, L D、Mahajanshetti, C S、Dambal, S B

  DOI：——

  日期：——
• Highly potent inhibitors of the Grb2-SH2 domain
  作者：Joseph Schoepfer、Heinz Fretz、Brigitte Gay、Pascal Furet、Carlos García-Echeverría、Nicole End、Giorgio Caravatti

  DOI：10.1016/s0960-894x(98)00701-x

  日期：1999.1

  Highly potent inhibitors of the Grb2-SH2 domain have been synthesized. They share the common sequence: Ac-Pmp-Ac(6)c-Asn-NH-(3-indolyl-propyl). Different substituents at the 3-indolyl-propylamine C-terminal group were explored to further improve the activity. This is the first example of inhibitors of SH2 domains with sub-nanomolar affinity reported to date. (C) 1999 Elsevier Science Ltd. All rights reserved.