4,5,6,7,9,10,11,12-Octahydro-8H-5,7a-diaza-benzo[cd]cyclohepta[a]azulene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 4,5,6,7,9,10,11,12-Octahydro-8H-5,7a-diaza-benzo[cd]cyclohepta[a]azulene
• 英文别名: 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1,3,5(18),11(17)-tetraene
• 化学式: C₁₆H₂₀N₂
• 分子量: 240.348
• InChiKey: CJMKQMOGWDZRAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3,4-二氢-1H-苯并[e][1,4]二氮杂卓-2,5-二酮 在 盐酸 、 sodium hydroxide 、 lithium aluminium tetrahydride 、 TEA 、 溶剂黄146 、 锌 、 sodium nitrite 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 49.5h， 生成 4,5,6,7,9,10,11,12-Octahydro-8H-5,7a-diaza-benzo[cd]cyclohepta[a]azulene
  参考文献：
  名称：

  Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor

  摘要：

  Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT2C receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K-i 56nM, E-max 90%), which is selective for the 5-HT2C receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in vivo in a rat model of feeding behavior. An SAR study based on WAY-629 led to compound 11 (K-i 13 nM, E-max 102%). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.100

文献信息

• Preventives/remedies for stress urinary incontinence and method of screening the same
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2248524A2

  公开（公告）日：2010-11-10

  APD-356 for use as an agent for the prophylaxis or treatment of stress urinary incontinence.

  APD-356 用于预防或治疗压力性尿失禁。
• Cyclohepta[b][1,4]diazepino[6,7,1,-hi]indoles and derivatives
  申请人：Sabb Louise Annmaire

  公开号：US20050054635A1

  公开（公告）日：2005-03-10

  This invention provides compounds of the formula: wherein R 1 and R 2 are each, independently, H, alkyl, cycloalkyl, —CH 2 -cycloalkyl, alkoxy, halogen, fluorinated alkyl, —CN, —NH—SO 2 -alkyl, —SO 2 —NH-alkyl, alkyl amide, amino, alkylamino, dialkylamino, fluorinated alkoxy, acyl, or phenoyl or thiophenoyl; R 3 and R 4 are each, independently, H, alkyl or cycloalkyl; R 5 is H or alkyl; R 6 is H or; and the dashed line indicates an optional double bond; or a pharmaceutically acceptable salt thereof, and pharmaceutical compositions and methods utilizing these compounds for the treatment or prevention of disorders including obsessive-compulsive disorder, depression, anxiety, generalized anxiety disorder, schizophrenia, migraine, sleep disorders, eating disorders, obesity, epilepsy, and spinal cord injury.

  本发明提供了式中化合物： 其中 R 1 和 R 2 各自独立地为 H、烷基、环烷基、-CH 2 -环烷基、烷氧基、卤素、氟化烷基、-CN、-NH-SO 2 -烷基、-SO 2 -NH-烷基、烷基酰胺、氨基、烷基氨基、二烷基氨基、氟化烷氧基、酰基或苯甲酰基或噻吩甲酰基；R 3 和 R 4 各自独立地为 H、烷基或环烷基； R 5 是 H 或烷基 6 或其药学上可接受的盐；以及利用这些化合物治疗或预防强迫症、抑郁症、焦虑症、广泛性焦虑症、精神分裂症、偏头痛、睡眠障碍、饮食失调、肥胖症、癫痫和脊髓损伤等疾病的药物组合物和方法。
• Cyclohepta [b] [1,4] diazepino [6,7, 1-hi] indoles and derivatives
  申请人：American Home Products Corporation

  公开号：US20020128261A1

  公开（公告）日：2002-09-12

  This invention provides compounds of the formula: 1 wherein R 1 and R 2 are each, independently, H, alkyl, cycloalkyl, —CH 2 -cycloalkyl, alkoxy, halogen, fluorinated alkyl, —CN, —NH—SO 2 -alkyl, —SO 2 —NH-alkyl, alkyl amide, amino, alkylamino, dialkylamino, fluorinated alkoxy, acyl, or phenoyl or thiophenoyl; R 3 and R 4 are each, independently, H, alkyl or cycloalkyl; R 5 is H or alkyl; R 6 is H or; and the dashed line indicates an optional double bond; or a pharmaceutically acceptable salt thereof, and pharmaceutical compositions and methods utilizing these compounds for the treatment or prevention of disorders including obsessive-compulsive disorder, depression, anxiety, generalized anxiety disorder, schizophrenia, migraine, sleep disorders, eating disorders, obesity, epilepsy, and spinal cord injury.
• US6858604B2
  申请人：——

  公开号：US6858604B2

  公开（公告）日：2005-02-22
• US7271164B2
  申请人：——

  公开号：US7271164B2

  公开（公告）日：2007-09-18