N,N'-di(benzyloxycarbonyl)-3-[2-(indol-3-yl)ethyl]-3-aza-1,6-hexanediamine | 568589-89-9

• 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,N'-di(benzyloxycarbonyl)-3-[2-(indol-3-yl)ethyl]-3-aza-1,6-hexanediamine
• 英文别名: benzyl N-[3-[2-(1H-indol-3-yl)ethyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]carbamate
• CAS: 568589-89-9
• 化学式: C₃₁H₃₆N₄O₄
• 分子量: 528.651
• InChiKey: VLVOHAQIIPYBRK-UHFFFAOYSA-N

物化性质

• 沸点：
  748.7±60.0 °C(Predicted)
• 密度：
  1.211±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  39
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  95.7
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N'-di(benzyloxycarbonyl)-3-[2-(indol-3-yl)ethyl]-3-aza-1,6-hexanediamine 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以100%的产率得到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
• 作为产物：
  描述：

  苄基氰基甲酸酯 在 potassium carbonate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 36.0h， 生成 N,N'-di(benzyloxycarbonyl)-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.