(+)-5,14-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,7,9-tetraen-6-one | 357425-77-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: (+)-5,14-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,7,9-tetraen-6-one
• 英文别名: 5,14-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,7,9-tetraen-6-one
• CAS: 357425-77-5
• 化学式: C₁₄H₁₄N₂O
• 分子量: 226.278
• InChiKey: SMACJRJUIUCUKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 sodium carbonate 作用下， 以 甲醇 为溶剂， 生成 (+)-5,14-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,7,9-tetraen-6-one
  参考文献：
  名称：

  3,5-Bicyclic aryl piperidines: A novel class of α4β2 neuronal nicotinic receptor partial agonists for smoking cessation

  摘要：

  3,5-Bicyclic aryl piperidines are a new class of high-affinity alpha 4 beta 2 nicotinic receptor agents. We have sought nicotinic receptor partial agonists of the alpha 4 beta 2 nicotinic acetylcholine receptor for smoking cessation, and a number of compounds fulfill potency, selectivity, and efficacy requirements in vitro. In vivo, selected agents demonstrate potent partial agonist efficacy on the mesolimbic doparnine system, a key measure of therapeutic potential for smoking cessation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.035

文献信息

• Aryl fused azapolycyclic compounds
  申请人：Pfizer Inc

  公开号：US06605610B1

  公开（公告）日：2003-08-12

  Compounds of the formula and their pharmaceutically acceptable salts, wherein R1, R2, and R3 are as defined herein; intermediates for the synthesis of such compounds, pharmaceutical compositions containing such compounds; and methods of using such compounds in the treatment of neurological and psychological disorders.

  该公式化合物及其药学上可接受的盐，其中R1、R2和R3的定义如本文所述；用于合成此类化合物的中间体，含有此类化合物的药物组合物；以及使用此类化合物治疗神经和心理障碍的方法。
• 3,5-Bicyclic aryl piperidines: A novel class of α4β2 neuronal nicotinic receptor partial agonists for smoking cessation
  作者：Jotham W. Coe、Paige R. Brooks、Michael C. Wirtz、Crystal G. Bashore、Krista E. Bianco、Michael G. Vetelino、Eric P. Arnold、Lorraine A. Lebel、Carol B. Fox、F. David Tingley、David W. Schulz、Thomas I. Davis、Steven B. Sands、Robert S. Mansbach、Hans Rollema、Brian T. O’Neill

  DOI：10.1016/j.bmcl.2005.08.035

  日期：2005.11

  3,5-Bicyclic aryl piperidines are a new class of high-affinity alpha 4 beta 2 nicotinic receptor agents. We have sought nicotinic receptor partial agonists of the alpha 4 beta 2 nicotinic acetylcholine receptor for smoking cessation, and a number of compounds fulfill potency, selectivity, and efficacy requirements in vitro. In vivo, selected agents demonstrate potent partial agonist efficacy on the mesolimbic doparnine system, a key measure of therapeutic potential for smoking cessation. (c) 2005 Elsevier Ltd. All rights reserved.