| 716349-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• CAS: 716349-42-7
• 化学式: C₃₃H₄₀N₄O
• 分子量: 508.707
• InChiKey: XPNIFODGUNFQET-WLNZHLEZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.73
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  37.44
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  糠醛 、 endo 2-methyl-1-{8-[2-(4-phenylpiperidin-4-yl)ethyI]-8-azabicyclo[3.2.1]oct-3-yl}-1H-benzimidazole 在 三乙酰氧基硼氢化钠 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 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.