N-((1R,5S,6s)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cycloheptyl-2-hydroxy-2-phenylacetamide | 712356-62-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-((1R,5S,6s)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cycloheptyl-2-hydroxy-2-phenylacetamide
• CAS: 712356-62-2
• 化学式: C₂₇H₃₄N₂O₂
• 分子量: 418.579
• InChiKey: RKDBPJCLTVDAHN-CPYPIWFDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.09
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  52.57
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-((1R,5S,6s)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cycloheptyl-2-hydroxy-2-phenylacetamide 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、310.27 kPa 条件下， 反应 3.0h， 生成 (1α, 5α, 6α)-6-N-(3-azabicyclo [3.1.0] hexyl)-2-cycloheptyl-2-hydroxy-2-phenylacetamide
  参考文献：
  名称：

  Synthesis and optimization of novel and selective muscarinic M3 receptor antagonists

  摘要：

  A series of constrained piperidine analogues were synthesized as novel muscarinic M-3 receptor antagonists. Evaluation of these compounds in binding assays revealed that they not only have high affinity for the M-3 receptor but also have high selectivity over the M-2 receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.081
• 作为产物：
  描述：

  cycloheptyl magnesium bromide 在 N-甲基吗啉 、 氢氧化钾 、 1-羟基苯并三唑 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-((1R,5S,6s)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cycloheptyl-2-hydroxy-2-phenylacetamide
  参考文献：
  名称：

  Synthesis and optimization of novel and selective muscarinic M3 receptor antagonists

  摘要：

  A series of constrained piperidine analogues were synthesized as novel muscarinic M-3 receptor antagonists. Evaluation of these compounds in binding assays revealed that they not only have high affinity for the M-3 receptor but also have high selectivity over the M-2 receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.081

文献信息

• Synthesis and optimization of novel and selective muscarinic M3 receptor antagonists
  作者：Naresh Kumar、Kirandeep Kaur、Shelly Aeron、Sankaranarayanan Dharmarajan、Arun D.V. Silamkoti、Anita Mehta、Suman Gupta、Anita Chugh、Jang B. Gupta、Mohammad Salman、Venkata P. Palle、Ian A. Cliffe

  DOI：10.1016/j.bmcl.2007.06.081

  日期：2007.9

  A series of constrained piperidine analogues were synthesized as novel muscarinic M-3 receptor antagonists. Evaluation of these compounds in binding assays revealed that they not only have high affinity for the M-3 receptor but also have high selectivity over the M-2 receptor. (c) 2007 Elsevier Ltd. All rights reserved.