3-((4-methylpiperazin-1-yl)methyl)-1H-indole-5-carbonitrile | 101831-78-1

• 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: 3-((4-methylpiperazin-1-yl)methyl)-1H-indole-5-carbonitrile
• 英文别名: 3-[(4-methyl-1-piperazinyl)methyl]-1H-indole-5-carbonitrile；Indole-5-carbonitrile, 3-(4-methyl-1-piperazinylmethyl)-；3-[(4-methylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile
• CAS: 101831-78-1
• 化学式: C₁₅H₁₈N₄
• 分子量: 254.335
• InChiKey: PVNWVAMWFWITOQ-UHFFFAOYSA-N

物化性质

• 沸点：
  452.4±40.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 5-氰基吲哚 、 聚合甲醛 以 水 为溶剂， 反应 2.0h， 以84%的产率得到3-((4-methylpiperazin-1-yl)methyl)-1H-indole-5-carbonitrile
  参考文献：
  名称：

  Khan, Khalid Mohammed; Rahim, Fazal; Ambreen, Nida, Journal of the Chemical Society of Pakistan, 2012, vol. 34, # 3, p. 748 - 757

  摘要：

  DOI：

文献信息

• Khan, Khalid Mohammed; Rahim, Fazal; Ambreen, Nida, Journal of the Chemical Society of Pakistan, 2012, vol. 34, # 3, p. 748 - 757
  作者：Khan, Khalid Mohammed、Rahim, Fazal、Ambreen, Nida、Taha, Muhammad、Iqbal, Sarosh、Haider, Syed Moazzam、Perveen, Shahnaz

  DOI：——

  日期：——
• Synthetic indole Mannich bases: Their ability to modulate in vitro cellular immunity
  作者：M. Ahmed Mesaik、Khalid Mohammed Khan、Fazal Rahim、Muhammad Taha、Syed Moazzam Haider、Shahnaz Perveen、Ahmed Shukralla Khalid、Omer M. Abdalla、Samreen Soomro、Wolfgang Voelter

  DOI：10.1016/j.bioorg.2015.05.003

  日期：2015.6

  The synthetic indole Mannich bases 1-13 have been investigated for their ability to modulate immune responses measured in vitro. These activities were based on monitoring their affects on T-lymphocyte proliferation, reactive oxygen species (ROS), IL (interleukin)-2, IL-4, and nitric oxide production. Compound 5 was found to be the most potent immunomodulator in this context. Four of the synthesized compounds, 5, 11, 12, and 13, have significant potent inhibitory effects on T-cell proliferation, IL-4, and nitric oxide production. However, none of the thirteen indole compounds exerted any activity against ROS production. (C) 2015 Elsevier Inc. All rights reserved.