| 716354-26-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• CAS: 716354-26-6
• 化学式: C₄₀H₄₉F₂N₅O
• 分子量: 653.859
• InChiKey: PMPCCRHJWGIZEY-BEYFNQABSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.87
• 重原子数：
  48.0
• 可旋转键数：
  11.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.4
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-(4-fluorophenyl)-2-(4-(3-fluorophenyl)-4-(2-((1R,3r,5S)-3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)piperidin-1-yl)acetic acid 、 正丁胺 在 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  [2-(4-Phenyl-4-piperidinyl)ethyl]amine based CCR5 antagonists: derivatizations at the N-terminal of the piperidine ring

  摘要：

  Several series of CCR5 antagonists have been discovered by derivatization at the N-terminal of the piperidine ring of the core template 2. Some derivatives exhibited potent inhibition against HIV-1 infection. The pharmacokinetic properties of the lead compounds 11a, 14a, 15b, and 16b have been evaluated in vivo. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.014

文献信息

• US7645771B2
  申请人：——

  公开号：US7645771B2

  公开（公告）日：2010-01-12
• [2-(4-Phenyl-4-piperidinyl)ethyl]amine based CCR5 antagonists: derivatizations at the N-terminal of the piperidine ring
  作者：Maosheng Duan、Christopher Aquino、Robert Ferris、Wieslaw M. Kazmierski、Terry Kenakin、Cecilia Koble、Pat Wheelan、Chris Watson、Michael Youngman

  DOI：10.1016/j.bmcl.2009.02.014

  日期：2009.3

  Several series of CCR5 antagonists have been discovered by derivatization at the N-terminal of the piperidine ring of the core template 2. Some derivatives exhibited potent inhibition against HIV-1 infection. The pharmacokinetic properties of the lead compounds 11a, 14a, 15b, and 16b have been evaluated in vivo. (C) 2009 Elsevier Ltd. All rights reserved.