(3-endo)-3-[2-hydroxy-2,2-bis(2-methylphenyl)ethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide | 1182099-94-0

• 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-hydroxy-2,2-bis(2-methylphenyl)ethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide
• CAS: 1182099-94-0
• 化学式: Br*C₂₅H₃₄NO
• 分子量: 444.455
• InChiKey: IXFMEOWLUAJCKR-XQJPQCLXSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.95
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  溴甲烷 、 以 丙酮 为溶剂， 反应 12.0h， 生成 (3-endo)-3-[2-hydroxy-2,2-bis(2-methylphenyl)ethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide
  参考文献：
  名称：

  Design, Synthesis, and Structure−Activity Relationship of Tropane Muscarinic Acetylcholine Receptor Antagonists

  摘要：

  Novel tropane derivatives were characterized as muscarinic acetylcholine receptor antagonists (mAChRs). Through optimization of the structure-activity relationship around the tropane scaffold, the quaternary ammonium salt 34 was identified as a very Potent M(3) mAChR antagonist. The compound was functionally active and displayed greater than 24 It duration of action in a mouse model of bronchoconstriction.

  DOI：

  10.1021/jm900736e

文献信息

• Design, Synthesis, and Structure−Activity Relationship of Tropane Muscarinic Acetylcholine Receptor Antagonists
  作者：Dramane I. Lainé、Zehong Wan、Hongxing Yan、Chongjie Zhu、Haibo Xie、Wei Fu、Jakob Busch-Petersen、Christopher Neipp、Roderick Davis、Katherine L. Widdowson、Frank E. Blaney、James Foley、Alicia M. Bacon、Edward F. Webb、Mark A. Luttmann、Miriam Burman、Henry M. Sarau、Michael Salmon、Michael R. Palovich、Kristen Belmonte

  DOI：10.1021/jm900736e

  日期：2009.8.27

  Novel tropane derivatives were characterized as muscarinic acetylcholine receptor antagonists (mAChRs). Through optimization of the structure-activity relationship around the tropane scaffold, the quaternary ammonium salt 34 was identified as a very Potent M(3) mAChR antagonist. The compound was functionally active and displayed greater than 24 It duration of action in a mouse model of bronchoconstriction.