3-(5-甲基吲哚-1-基)丙烷-1-胺 | 46276-89-5

• 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-(5-甲基吲哚-1-基)丙烷-1-胺
• 英文名称: 3-(5-Methyl-1H-indol-1-yl)propan-1-amine
• 英文别名: 3-(5-methylindol-1-yl)propan-1-amine
• CAS: 46276-89-5
• 化学式: C₁₂H₁₆N₂
• 分子量: 188.272
• InChiKey: VPBCQVOHJUQMDB-UHFFFAOYSA-N

物化性质

• 沸点：
  343.3±25.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

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

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-(5-甲基吲哚-1-基)丙烷-1-胺 在 palladium on activated charcoal N-甲基吗啉 、 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 为溶剂， 生成 (2S)-2-[[1-[[(2S)-2-acetamido-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]propanoyl]amino]cyclohexanecarbonyl]amino]-N-[3-(5-methylindol-1-yl)propyl]butanediamide
  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-(5-甲基吲哚-1-基)丙腈 在 镍 氢气 作用下， 以 甲醇 为溶剂， 生成 3-(5-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

• 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.