4-[(Cyclopropylmethyl-amino)-methyl]-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol | 258352-89-5

• 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: 4-[(Cyclopropylmethyl-amino)-methyl]-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
• 英文别名: 4-[(cyclopropylmethylamino)methyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-ol
• CAS: 258352-89-5
• 化学式: C₂₃H₃₂N₆O
• 分子量: 408.547
• InChiKey: NFKBTQGLVYZHDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  82
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 4-[(Cyclopropylmethyl-amino)-methyl]-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol 在 甲醇 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 生成 4-[(Cyclopropylmethyl-methyl-amino)-methyl]-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
  参考文献：
  名称：

  4-Hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl]piperidines: Selective h5-HT1D agonists for the treatment of migraine

  摘要：

  A series of 4-hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl] piperidines was investigated as potential selective h5-HT1D agonists for the treatment of migraine. The 4-[(N-benzyl-N-methyl)amino]methyl analog 12a was found to be a full agonist at the h5-HT1D receptor with good binding selectivity over the h5-HT1B receptor. (C) 1999 Elsevier Science Ltd. Ali rights reserved.

  DOI：

  10.1016/s0960-894x(99)00614-9
• 作为产物：
  描述：

  1-噁-6-氮杂螺[2.5]辛烷-6-羧酸-1,1-二甲基乙酯 在 potassium carbonate 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 异丙醇 为溶剂， 生成 4-[(Cyclopropylmethyl-amino)-methyl]-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
  参考文献：
  名称：

  4-Hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl]piperidines: Selective h5-HT1D agonists for the treatment of migraine

  摘要：

  A series of 4-hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl] piperidines was investigated as potential selective h5-HT1D agonists for the treatment of migraine. The 4-[(N-benzyl-N-methyl)amino]methyl analog 12a was found to be a full agonist at the h5-HT1D receptor with good binding selectivity over the h5-HT1B receptor. (C) 1999 Elsevier Science Ltd. Ali rights reserved.

  DOI：

  10.1016/s0960-894x(99)00614-9

文献信息

• 4-Hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl]piperidines: Selective h5-HT1D agonists for the treatment of migraine
  作者：Sylvie Bourrain、Joseph G. Neduvelil、Margaret S. Beer、Josephine A. Stanton、Graham A. Showell、Angus M. MacLeod

  DOI：10.1016/s0960-894x(99)00614-9

  日期：1999.12

  A series of 4-hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl] piperidines was investigated as potential selective h5-HT1D agonists for the treatment of migraine. The 4-[(N-benzyl-N-methyl)amino]methyl analog 12a was found to be a full agonist at the h5-HT1D receptor with good binding selectivity over the h5-HT1B receptor. (C) 1999 Elsevier Science Ltd. Ali rights reserved.