3-[2-(indol-3-yl)ethyl]-3-aza-1,6-hexanediamine | 568589-90-2

• 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-[2-(indol-3-yl)ethyl]-3-aza-1,6-hexanediamine
• 英文别名: N'-(2-aminoethyl)-N'-[2-(1H-indol-3-yl)ethyl]propane-1,3-diamine
• CAS: 568589-90-2
• 化学式: C₁₅H₂₄N₄
• 分子量: 260.382
• InChiKey: IMVVYDZNEDACMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  455.4±35.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  71.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲硫基-2-咪唑啉 、 苦味酸 、 3-[2-(indol-3-yl)ethyl]-3-aza-1,6-hexanediamine 以 乙醇 、 水 为溶剂， 反应 24.0h， 以92%的产率得到N,N'-di(4,5-dihydro-1H-imidazol-2-yl)-3-[2-(indol-3-yl)ethyl]-3-aza-1,6-hexanediamine monopicrate monohydroiodide
  参考文献：
  名称：

  Synthesis and analgesic activity of a series of new azaalkane bis-guanidinium and bis(2-aminoimidazolinium) compounds

  摘要：

  In the present paper, we wish to report the synthesis and antinociceptive activity of a series of new azaalkane bis(2-aminoimidazolinium) compounds from which, N,N'-di(4,5-dihydro-1H-imidazol-2-yl)-3-aza-1,6-hexanediamine 2a has shown the best analgesic properties in vivo in two different assays (i.e., acetic acid-induced writhing test and hot-plate test in mice), as well as oral bioavailability. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00637-5
• 作为产物：
  描述：

  3-(2-溴乙基)吲哚 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 39.0h， 生成 3-[2-(indol-3-yl)ethyl]-3-aza-1,6-hexanediamine
  参考文献：
  名称：

  Synthesis and analgesic activity of a series of new azaalkane bis-guanidinium and bis(2-aminoimidazolinium) compounds

  摘要：

  In the present paper, we wish to report the synthesis and antinociceptive activity of a series of new azaalkane bis(2-aminoimidazolinium) compounds from which, N,N'-di(4,5-dihydro-1H-imidazol-2-yl)-3-aza-1,6-hexanediamine 2a has shown the best analgesic properties in vivo in two different assays (i.e., acetic acid-induced writhing test and hot-plate test in mice), as well as oral bioavailability. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00637-5

文献信息

• Synthesis and analgesic activity of a series of new azaalkane bis-guanidinium and bis(2-aminoimidazolinium) compounds
  作者：Christophe Dardonville、Isabel Rozas、Pilar Goya、Rocı́o Girón、Carlos Goicoechea、Ma Isabel Martı́n

  DOI：10.1016/s0968-0896(02)00637-5

  日期：2003.4

  In the present paper, we wish to report the synthesis and antinociceptive activity of a series of new azaalkane bis(2-aminoimidazolinium) compounds from which, N,N'-di(4,5-dihydro-1H-imidazol-2-yl)-3-aza-1,6-hexanediamine 2a has shown the best analgesic properties in vivo in two different assays (i.e., acetic acid-induced writhing test and hot-plate test in mice), as well as oral bioavailability. (C) 2003 Elsevier Science Ltd. All rights reserved.