(3-endo)-3-(2-cyano-2,2-diphenylethyl)-8-(3-cyanopropyl)-8-methyl-8-azoniabicyclo[3.2.1]octane bromide | 852461-12-2

• 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: (3-endo)-3-(2-cyano-2,2-diphenylethyl)-8-(3-cyanopropyl)-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
• CAS: 852461-12-2
• 化学式: Br*C₂₇H₃₂N₃
• 分子量: 478.475
• InChiKey: QGTUWNJUVNJZJF-HPQGXRIXSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  31.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  47.58
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropionitrile 、 4-溴丁腈 在 potassium carbonate 作用下， 生成 (3-endo)-3-(2-cyano-2,2-diphenylethyl)-8-(3-cyanopropyl)-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
  参考文献：
  名称：

  Design, synthesis and structure–activity relationship of N-substituted tropane muscarinic acetylcholine receptor antagonists

  摘要：

  A novel series of N-substituted tropane derivatives was characterized as potent muscarinic acetylcholine receptor antagonists (mAChRs). Kinetic washout studies showed that the N-endosubstituted analog 24 displayed much slower reversibility at mAChRs than the methyl-substituted parent molecule darotropium. In addition, it was shown that this characteristic appeared to translate into enhanced which duration of action in a mouse model of bronchonstriction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.015

文献信息

• M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1682142B1

  公开（公告）日：2012-07-11
• Muscarinic acetylcholine receptor antagonists
  申请人：Wan Zehong

  公开号：US20070129396A1

  公开（公告）日：2007-06-07

  Muscarinic Acetylcholine receptor antagonists and methods of using them are provided.
• M3 Muscarinic Acetylcholine Receptor Antagonists
  申请人：Wan Zehong

  公开号：US20070270456A1

  公开（公告）日：2007-11-22

  Muscarinic Acetylcholine receptor antagonists and methods of using them are provided.
• US7439255B2
  申请人：——

  公开号：US7439255B2

  公开（公告）日：2008-10-21
• US7563803B2
  申请人：——

  公开号：US7563803B2

  公开（公告）日：2009-07-21