3-(2-Pyrrolidin-1-yl-ethyl)-5-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole | 675841-45-9

• 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: 3-(2-Pyrrolidin-1-yl-ethyl)-5-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
• 英文别名: 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
• CAS: 675841-45-9
• 化学式: C₁₉H₂₅N₃
• 分子量: 295.428
• InChiKey: HTCNEAVLUQFJGK-UHFFFAOYSA-N

物化性质

• 沸点：
  493.0±45.0 °C(Predicted)
• 密度：
  1.140±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  31.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-萘异硫氰酸酯 、 3-(2-Pyrrolidin-1-yl-ethyl)-5-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole 以 二氯甲烷 为溶剂， 生成 4-[3-(2-Pyrrolidin-1-yl-ethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carbothioic acid naphthalen-1-ylamide
  参考文献：
  名称：

  3-(2-Pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity human 5-HT1B/1D ligands

  摘要：

  A series of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) has been prepared using parallel synthesis techniques, and their structure-activity relationships studied. High affinity human 5-HT1B/1D (h5-HT1B/1D) ligands have been identified. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.023
• 作为产物：
  描述：

  2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl chloride 在 lithium aluminium tetrahydride 、 叔丁基锂 、 sodium hexamethyldisilazane 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 正戊烷 为溶剂， 反应 24.0h， 生成 3-(2-Pyrrolidin-1-yl-ethyl)-5-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
  参考文献：
  名称：

  3-(2-Pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity human 5-HT1B/1D ligands

  摘要：

  A series of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) has been prepared using parallel synthesis techniques, and their structure-activity relationships studied. High affinity human 5-HT1B/1D (h5-HT1B/1D) ligands have been identified. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.023

文献信息

• 3-(2-Pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity human 5-HT1B/1D ligands
  作者：Ian Egle、Neil MacLean、Lidia Demchyshyn、Louise Edwards、Abdelmalik Slassi、Ashok Tehim

  DOI：10.1016/j.bmcl.2003.11.023

  日期：2004.2

  A series of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) has been prepared using parallel synthesis techniques, and their structure-activity relationships studied. High affinity human 5-HT1B/1D (h5-HT1B/1D) ligands have been identified. (C) 2003 Elsevier Ltd. All rights reserved.