(2R)-(1α,5α,6α)-6-N-(3-azabicyclo[3.1.0]hexyl-3-(3,4-methylenedioxyphenyl)ethyl)-2-cyclopentyl-2-hydroxy-2-phenyl acetamide

• 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: (2R)-(1α,5α,6α)-6-N-(3-azabicyclo[3.1.0]hexyl-3-(3,4-methylenedioxyphenyl)ethyl)-2-cyclopentyl-2-hydroxy-2-phenyl acetamide
• 化学式: C₂₇H₃₂N₂O₄
• 分子量: 448.562
• InChiKey: CWHYVJWMHYDVMM-DJCWJLACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  71.03
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3-benzyl-3-aza-bicyclo[3.1.0]hexan-6-amine 在 palladium on activated charcoal N-甲基吗啉 、 氢气 、 potassium carbonate 、 1-羟基苯并三唑 、 potassium iodide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 8.0h， 生成 (2R)-(1α,5α,6α)-6-N-(3-azabicyclo[3.1.0]hexyl-3-(3,4-methylenedioxyphenyl)ethyl)-2-cyclopentyl-2-hydroxy-2-phenyl acetamide
  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.