4-(3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl)-2,2-diphenyl-3-butaneynenitrile | 515156-07-7

• 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: 4-(3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl)-2,2-diphenyl-3-butaneynenitrile
• 英文别名: 4-(3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl)-2,2-diphenyl-3-butynenitrile；(3-hydroxyl-azabicyclo[2.2.2]oct-3-yl)-2,2-diphenyl-3-butynenitrile；4-(3-Hydroxy-1-azabicyclo[2.2.2]octan-3-yl)-2,2-diphenylbut-3-ynenitrile
• CAS: 515156-07-7
• 化学式: C₂₃H₂₂N₂O
• 分子量: 342.44
• InChiKey: XTIXFYYUEQNZTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl)-2,2-diphenyl-3-butaneynenitrile 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Alkyne–quinuclidine derivatives as potent and selective muscarinic antagonists for the treatment of COPD

  摘要：

  SAR around alkyne-quinuclidine derivatives allowed the discovery of highly potent muscarinic antagonists displaying interesting preferential slow off-rates from the M3 receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.024
• 作为产物：
  描述：

  3-奎宁环酮 、 2,2-Diphenyl-3-butynenitrile 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 4-(3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl)-2,2-diphenyl-3-butaneynenitrile
  参考文献：
  名称：

  Alkyne–quinuclidine derivatives as potent and selective muscarinic antagonists for the treatment of COPD

  摘要：

  SAR around alkyne-quinuclidine derivatives allowed the discovery of highly potent muscarinic antagonists displaying interesting preferential slow off-rates from the M3 receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.024

文献信息

• Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors
  申请人：Guyaux Michel

  公开号：US20050020660A1

  公开（公告）日：2005-01-27

  The invention concerns quinuclidine derivatives of formula I or II wherein the substituents are as defined in the specification, as well as their use as pharmaceuticals. The compounds of the invention_show high affinities for m3 and/or m2 muscarinic receptors and are particularly suited for treating urinary incontinence.

  本发明涉及式I或II的季铵盐衍生物，其中取代基如规范中所定义，以及它们作为药物的用途。本发明的化合物具有高亲和力m3和/或m2胆碱能受体，特别适用于治疗尿失禁。
• QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS
  申请人：UCB, S.A.

  公开号：EP1438309A1

  公开（公告）日：2004-07-21
• US7361668B2
  申请人：——

  公开号：US7361668B2

  公开（公告）日：2008-04-22
• [EN] QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS<br/>[FR] DERIVES DE QUINUCLIDINE, LEURS PROCEDES DE PREPARATION, ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS DE RECEPTEUR MUSCARINIQUE M2 ET/OU M3
  申请人：UCB SA

  公开号：WO2003033495A1

  公开（公告）日：2003-04-24

  The invention concerns quinuclidine derivatives of formula I or II wherein the substituents are as defined in the specification, as well as their use as pharmaceuticals. The compounds of the invention_show high affinities for m3 and/or m2 muscarinic receptors and are particularly suited for treating urinary incontinence.
• Alkyne–quinuclidine derivatives as potent and selective muscarinic antagonists for the treatment of COPD
  作者：Jean-Philippe Starck、Laurent Provins、Bernard Christophe、Michel Gillard、Sophie Jadot、Patrick Lo Brutto、Luc Quéré、Patrice Talaga、Michel Guyaux

  DOI：10.1016/j.bmcl.2008.03.024

  日期：2008.4

  SAR around alkyne-quinuclidine derivatives allowed the discovery of highly potent muscarinic antagonists displaying interesting preferential slow off-rates from the M3 receptor. (C) 2008 Elsevier Ltd. All rights reserved.