N*1*-(1H-Indol-3-ylmethyl)-propane-1,3-diamine | 449812-47-9

• 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*1*-(1H-Indol-3-ylmethyl)-propane-1,3-diamine
• 英文别名: N'-(1H-indol-3-ylmethyl)propane-1,3-diamine
• CAS: 449812-47-9
• 化学式: C₁₂H₁₇N₃
• 分子量: 203.287
• InChiKey: KZPFBRMLYBRLSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  53.8
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1H-吡唑-1-甲脒盐酸盐 、 N*1*-(1H-Indol-3-ylmethyl)-propane-1,3-diamine 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 N-{3-[(1H-Indol-3-ylmethyl)-amino]-propyl}-guanidine
  参考文献：
  名称：

  Reductive amination products containing naphthalene and indole moieties bind to melanocortin receptors

  摘要：

  Presumed pharmacophoric groups of melanocortin peptides (naphthalene, amino or guanidine, and indole moieties) were combined in mimetics molecules looking for their favorable location for activity at melanocortin (MC) receptors. Twenty-two compounds were prepared and tested. The best of these displayed micromolar affinities for the MC receptors. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00088-4
• 作为产物：
  描述：

  3-甲酰基吲哚酸-1-羧酸 t-丁基酯 在 盐酸 、 sodium cyanoborohydride 、 溶剂黄146 、 原甲酸三甲酯 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.17h， 生成 N*1*-(1H-Indol-3-ylmethyl)-propane-1,3-diamine
  参考文献：
  名称：

  Reductive amination products containing naphthalene and indole moieties bind to melanocortin receptors

  摘要：

  Presumed pharmacophoric groups of melanocortin peptides (naphthalene, amino or guanidine, and indole moieties) were combined in mimetics molecules looking for their favorable location for activity at melanocortin (MC) receptors. Twenty-two compounds were prepared and tested. The best of these displayed micromolar affinities for the MC receptors. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00088-4

文献信息

• Reductive amination products containing naphthalene and indole moieties bind to melanocortin receptors
  作者：Felikss Mutulis、Ilze Mutule、Maris Lapins、Jarl E.S. Wikberg

  DOI：10.1016/s0960-894x(02)00088-4

  日期：2002.4

  Presumed pharmacophoric groups of melanocortin peptides (naphthalene, amino or guanidine, and indole moieties) were combined in mimetics molecules looking for their favorable location for activity at melanocortin (MC) receptors. Twenty-two compounds were prepared and tested. The best of these displayed micromolar affinities for the MC receptors. (C) 2002 Elsevier Science Ltd. All rights reserved.