N-[2-(diethylamino)ethyl]-1H-indole-5-carboxamide | 1257847-78-1

• 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: N-[2-(diethylamino)ethyl]-1H-indole-5-carboxamide
• CAS: 1257847-78-1
• 化学式: C₁₅H₂₁N₃O
• 分子量: 259.351
• InChiKey: GYTZSQQPWJLMFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  48.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[2-(diethylamino)ethyl]-1H-indole-5-carboxamide 在 碘 、 溶剂黄146 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 5-((2-(diethylamino)ethyl)carbamoyl)-1H-indol-3-yl acetate
  参考文献：
  名称：

  Design, synthesis and anti-proliferative studies of a novel series of indirubin derivatives

  摘要：

  A series of novel derivatives of indirubin were synthesized and evaluated for their anti-proliferative activity against human cancer cell lines of SGC7901, A549, HL-60, SK-BR-3 and HCT116. Most of the compounds displayed more potent activity than Sunitinib. In addition, the derivatives showed improved water solubility, which may be favorable to their pharmacokinetic performances. (C) 2010 Hui Bin Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.05.026
• 作为产物：
  描述：

  5-溴吲哚 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 、 三乙胺 、 potassium hydroxide 作用下， 以 N-甲基吡咯烷酮 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 N-[2-(diethylamino)ethyl]-1H-indole-5-carboxamide
  参考文献：
  名称：

  Design, synthesis and anti-proliferative studies of a novel series of indirubin derivatives

  摘要：

  A series of novel derivatives of indirubin were synthesized and evaluated for their anti-proliferative activity against human cancer cell lines of SGC7901, A549, HL-60, SK-BR-3 and HCT116. Most of the compounds displayed more potent activity than Sunitinib. In addition, the derivatives showed improved water solubility, which may be favorable to their pharmacokinetic performances. (C) 2010 Hui Bin Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.05.026