11-Benzyl-5-[4-(trifluoromethyl)phenyl]-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene | 248276-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 11-Benzyl-5-[4-(trifluoromethyl)phenyl]-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
• CAS: 248276-31-5
• 化学式: C₂₆H₂₄F₃N
• 分子量: 407.478
• InChiKey: QXFLRMRGGVMOSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  11-Benzyl-5-[4-(trifluoromethyl)phenyl]-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene 在 palladium dihydroxide 甲酸铵 作用下， 以 甲醇 为溶剂， 生成 5-(4-trifluoromethyl-phenyl)-11-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
  参考文献：
  名称：

  In pursuit of α4β2 nicotinic receptor partial agonists for smoking cessation: Carbon analogs of (−)-cytisine

  摘要：

  The preparation and biological activity of analogs of (-)-cytisine, an alpha 4 beta 2 nicotinic receptor partial agonist, are discussed. All-carbon-containing phenyl ring replacements of the pyridone ring system, generated via Heck cyclization protocols, exhibited weaker affinity and lower efficacy partial agonist profiles relative to (-)-cytisine. In vivo, selected compounds exhibit lower efficacy partial agonist profiles than that of (-)-cytisine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.036
• 作为产物：
  描述：

  5-Methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene-8-one 在 吡啶 、 氢氧化钾 、 sodium periodate 、 四氧化锇 、 四(三苯基膦)钯 、 (CH₂)5NCH₃O 、 氢溴酸 、 potassium acetate 、 三乙酰氧基硼氢化钠 、 乙二醇 、 肼 作用下， 以 乙醇 、 二氯甲烷 、 1,2-二氯乙烷 、 丙酮 为溶剂， 反应 20.0h， 生成 11-Benzyl-5-[4-(trifluoromethyl)phenyl]-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
  参考文献：
  名称：

  In pursuit of α4β2 nicotinic receptor partial agonists for smoking cessation: Carbon analogs of (−)-cytisine

  摘要：

  The preparation and biological activity of analogs of (-)-cytisine, an alpha 4 beta 2 nicotinic receptor partial agonist, are discussed. All-carbon-containing phenyl ring replacements of the pyridone ring system, generated via Heck cyclization protocols, exhibited weaker affinity and lower efficacy partial agonist profiles relative to (-)-cytisine. In vivo, selected compounds exhibit lower efficacy partial agonist profiles than that of (-)-cytisine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.036

文献信息

• Aryl fused azapolycyclic compounds
  申请人：——

  公开号：US20030008890A1

  公开（公告）日：2003-01-09

  The present invention relates to compounds of formula (I) 1 and their pharmaceutically acceptable salts, wherein R 1 , R 2 , R 3 and Z are as defined herein, intermediates in the synthesis of such compounds, pharmaceutical compositions containing such compounds and methods of using such compounds in the treatment of neurological and psychological disorders.

  本发明涉及公式(I)1化合物及其药学上可接受的盐，其中R1、R2、R3和Z如本文所定义，在合成这种化合物的中间体中，包含这种化合物的药物组合物以及使用这种化合物治疗神经和心理障碍的方法。
• ARYL FUSED AZAPOLYCYCLIC COMPOUNDS
  申请人：Pfizer Products Inc.

  公开号：EP1076650B1

  公开（公告）日：2004-02-04
• US6706702B2
  申请人：——

  公开号：US6706702B2

  公开（公告）日：2004-03-16
• US7122534B2
  申请人：——

  公开号：US7122534B2

  公开（公告）日：2006-10-17
• In pursuit of α4β2 nicotinic receptor partial agonists for smoking cessation: Carbon analogs of (−)-cytisine
  作者：Jotham W. Coe、Michael G. Vetelino、Crystal G. Bashore、Michael C. Wirtz、Paige R. Brooks、Eric P. Arnold、Lorraine A. Lebel、Carol B. Fox、Steven B. Sands、Thomas I. Davis、David W. Schulz、Hans Rollema、F. David Tingley、Brian T. O’Neill

  DOI：10.1016/j.bmcl.2005.04.036

  日期：2005.6

  The preparation and biological activity of analogs of (-)-cytisine, an alpha 4 beta 2 nicotinic receptor partial agonist, are discussed. All-carbon-containing phenyl ring replacements of the pyridone ring system, generated via Heck cyclization protocols, exhibited weaker affinity and lower efficacy partial agonist profiles relative to (-)-cytisine. In vivo, selected compounds exhibit lower efficacy partial agonist profiles than that of (-)-cytisine. (c) 2005 Elsevier Ltd. All rights reserved.