4-Iodo-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-benzenesulfonamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Iodo-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-benzenesulfonamide
• 英文别名: 4-iodo-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
• 化学式: C₂₀H₂₂IN₃O₂S
• 分子量: 495.384
• InChiKey: AEMDBHPCLNORNP-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-碘苯磺酰氯 、 5-amino-3-<(N-methylpyrrolidin-2(R)-yl)methyl>-1H-indole 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 4-Iodo-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-benzenesulfonamide
  参考文献：
  名称：

  Discovery of 5-Arylsulfonamido-3- (pyrrolidin-2-ylmethyl)-1H-indole Derivatives as Potent, Selective 5-HT₆ Receptor Agonists and Antagonists

  摘要：

  5-Arylsulfonylamido-3-(pyrrolidin-2-ylmethyl)-1H-indoles have been identified as high-affinity 5-HT6 receptor ligands. Within this class, several of the (R)-enantiomers were potent agonists having EC50 values of 1 nM or less and functioning as full agonists while the (S)-enantiomers displayed moderate antagonist activity.

  DOI：

  10.1021/jm049243i

文献信息

• Discovery of 5-Arylsulfonamido-3- (pyrrolidin-2-ylmethyl)-1<i>H</i>-indole Derivatives as Potent, Selective 5-HT₆ Receptor Agonists and Antagonists
  作者：Derek C. Cole、William J. Lennox、Sabrina Lombardi、John W. Ellingboe、Ronald C. Bernotas、Gregory J. Tawa、Hossein Mazandarani、Deborah L. Smith、Guoming Zhang、Joseph Coupet、Lee E. Schechter

  DOI：10.1021/jm049243i

  日期：2005.1.1

  5-Arylsulfonylamido-3-(pyrrolidin-2-ylmethyl)-1H-indoles have been identified as high-affinity 5-HT6 receptor ligands. Within this class, several of the (R)-enantiomers were potent agonists having EC50 values of 1 nM or less and functioning as full agonists while the (S)-enantiomers displayed moderate antagonist activity.