(+)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,7,9-tetraen-6-one | 357425-48-0

• 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: (+)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,7,9-tetraen-6-one
• 英文别名: 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),7,10-tetraen-6-one
• CAS: 357425-48-0
• 化学式: C₁₃H₁₃N₃O
• 分子量: 227.266
• InChiKey: GKJIHIDMYKLTHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  53.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  羟基缬氨酸N-三氟乙酸盐 在 sodium carbonate 作用下， 以 甲醇 为溶剂， 以95%的产率得到(+)-5,8,14-triazatetracyclo[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

• Modified ligand-gated ion channels and methods of use
  申请人：Howard Hughes Medical Institute

  公开号：US10961296B2

  公开（公告）日：2021-03-30

  This document relates to materials and methods for modulating ligand gated ion channel (LGIC) activity. For example, modified LGICs including at least one LGIC subunit having a modified ligand binding domain (LBD) and/or a modified ion pore domain (IPD) are provided. Also provided are exogenous LGIC ligands that can bind to and activate the modified LGIC, as well as methods of modulating ion transport across the membrane of a cell of a mammal, methods of modulating the excitability of a cell in a mammal, and methods of treating a mammal having a channelopathy.

  本文涉及调节配体门控离子通道（LGIC）活性的材料和方法。例如，提供了包括至少一个具有修饰配体结合结构域（LBD）和/或修饰离子孔结构域（IPD）的 LGIC 亚基的修饰 LGIC。此外，还提供了可与经修饰的 LGIC 结合并激活该 LGIC 的外源 LGIC 配体，以及调节哺乳动物细胞膜上离子转运的方法、调节哺乳动物细胞兴奋性的方法和治疗患有通道病的哺乳动物的方法。
• ARYL FUSED AZAPOLYCYCLIC COMPOUNDS
  申请人：Pfizer Products Inc.

  公开号：EP1451202B1

  公开（公告）日：2008-08-20
• MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE
  申请人：Howard Hughes Medical Institute

  公开号：EP3706743A1

  公开（公告）日：2020-09-16
• 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.