3-[1-[2-[(2R)-1-(1H-indol-6-ylsulfonyl)pyrrolidin-2-yl]ethyl]piperidin-4-yl]-1H-indole

• 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-[1-[2-[(2R)-1-(1H-indol-6-ylsulfonyl)pyrrolidin-2-yl]ethyl]piperidin-4-yl]-1H-indole
• 化学式: C₂₇H₃₂N₄O₂S
• 分子量: 476.643
• InChiKey: CKOGHPCHAYJBFY-JOCHJYFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-[(R)-1-(1H-Indole-6-sulfonyl)-pyrrolidin-2-yl]-ethanol 在 四溴化碳 、 碳酸氢钠 、 三苯基膦 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 13.0h， 生成 3-[1-[2-[(2R)-1-(1H-indol-6-ylsulfonyl)pyrrolidin-2-yl]ethyl]piperidin-4-yl]-1H-indole
  参考文献：
  名称：

  SB-656104-A: A novel 5-HT7 receptor antagonist with improved In vivo properties

  摘要：

  A focused SAR study around the previously reported selective 5-HT7 receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes leading to the identification of SB-656104-A. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00690-x

文献信息

• SB-656104-A: A novel 5-HT7 receptor antagonist with improved In vivo properties
  作者：Ian T. Forbes、Sara Douglas、Andrew D. Gribble、Robert J. Ife、Andrew P. Lightfoot、Ashley E. Garner、Graham J. Riley、Phillip Jeffrey、Alexander J. Stevens、Tania O. Stean、David R. Thomas

  DOI：10.1016/s0960-894x(02)00690-x

  日期：2002.11

  A focused SAR study around the previously reported selective 5-HT7 receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes leading to the identification of SB-656104-A. (C) 2002 Elsevier Science Ltd. All rights reserved.