(R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | 625838-03-1

• 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: (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
• 英文别名: 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
• CAS: 625838-03-1
• 化学式: C₁₉H₂₅N₃
• 分子量: 295.428
• InChiKey: DQHRYOYRORDCNV-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  3
• 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 、 (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole 以 二氯甲烷 为溶剂， 生成 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbothioamide
  参考文献：
  名称：

  ( R )-3-( N -Methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity h5-HT 1B/1D ligands

  摘要：

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

  DOI：

  10.1016/s0960-894x(03)00779-0
• 作为产物：
  描述：

  (R)-5-溴-3-(1-甲基-2-吡咯烷基甲基)-1H-吲哚 在 叔丁基锂 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
  参考文献：
  名称：

  ( R )-3-( N -Methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity h5-HT 1B/1D ligands

  摘要：

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

  DOI：

  10.1016/s0960-894x(03)00779-0

文献信息

• ( R )-3-( N -Methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity h5-HT 1B/1D ligands
  作者：Ian Egle、Neil MacLean、Lidia Demchyshyn、Louise Edwards、Abdelmalik Slassi、Ashok Tehim

  DOI：10.1016/s0960-894x(03)00779-0

  日期：2003.10

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