3-[4-(2,3-dimethyl-5H-imidazo[1,2-b][2]benzazepin-11-yl)-1-piperazinyl]-2,2-dimethylpropanoic acid | 1248592-05-3

• 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: 3-[4-(2,3-dimethyl-5H-imidazo[1,2-b][2]benzazepin-11-yl)-1-piperazinyl]-2,2-dimethylpropanoic acid
• 英文别名: 3-[4-(1,2-dimethyl-10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid
• CAS: 1248592-05-3
• 化学式: C₂₃H₃₀N₄O₂
• 分子量: 394.517
• InChiKey: SOXIOTAVNTWQJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 3-[4-(2,3-dimethyl-5H-imidazo[1,2-b][2]benzazepin-11-yl)-1-piperazinyl]-2,2-dimethylpropanoate 在 水 、 lithium hydroxide 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以18 mg的产率得到3-[4-(2,3-dimethyl-5H-imidazo[1,2-b][2]benzazepin-11-yl)-1-piperazinyl]-2,2-dimethylpropanoic acid
  参考文献：
  名称：

  Novel imidazobenzazepine derivatives as dual H1/5-HT2A antagonists for the treatment of sleep disorders

  摘要：

  A novel imidazobenzazepine template (5a) with potent dual H-1/5-HT2A antagonist activity was identified. Application of a zwitterionic approach to this poorly selective and poorly developable starting point successfully delivered a class of high quality leads, 3-[4-(3-R-1-2-R-5H-imidazo[1,2-b][2]benzazepin-11-yl)-1-piperazinyl]-2,2-dimethylpropanoic acids (e. g., 9, 19, 20, and 21), characterized by potent and balanced H-1/5-HT2A receptor antagonist activities and good developability profiles. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.029

文献信息

• [EN] IMIDAZOBENZAZEPINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM (CNS) DISEASES<br/>[FR] COMPOSÉS IMIDAZOBENZAZÉPINE POUR LE TRAITEMENT DES MALADIES DU SYSTÈME NERVEUX CENTRAL (SNC)
  申请人：GLAXO GROUP LTD

  公开号：WO2010142652A1

  公开（公告）日：2010-12-16

  This invention relates to novel novel imidazobenzazepine derivatives of formula (I) or a pharmaceutically acceptable salt thereof, for treating diseases and conditions of the central nervous system (CNS), in particular sleep disorders.

  这项发明涉及一种新颖的咪唑苯并蒽啉类衍生物的公式（I）或其药用可接受的盐，用于治疗中枢神经系统（CNS）的疾病和病况，特别是睡眠障碍。
• Novel imidazobenzazepine derivatives as dual H1/5-HT2A antagonists for the treatment of sleep disorders
  作者：Massimo Gianotti、Corrado Corti、Sonia Delle Fratte、Romano Di Fabio、Colin P. Leslie、Francesca Pavone、Laura Piccoli、Luigi Stasi、Mark J. Wigglesworth

  DOI：10.1016/j.bmcl.2010.07.029

  日期：2010.9

  A novel imidazobenzazepine template (5a) with potent dual H-1/5-HT2A antagonist activity was identified. Application of a zwitterionic approach to this poorly selective and poorly developable starting point successfully delivered a class of high quality leads, 3-[4-(3-R-1-2-R-5H-imidazo[1,2-b][2]benzazepin-11-yl)-1-piperazinyl]-2,2-dimethylpropanoic acids (e. g., 9, 19, 20, and 21), characterized by potent and balanced H-1/5-HT2A receptor antagonist activities and good developability profiles. (C) 2010 Elsevier Ltd. All rights reserved.