cis-8-chloro-5-methyl-1-[4-(pyrimidin-4-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulene | 1228088-52-5

• 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: cis-8-chloro-5-methyl-1-[4-(pyrimidin-4-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulene
• CAS: 1228088-52-5
• 化学式: C₂₁H₂₃ClN₆O
• 分子量: 410.906
• InChiKey: NEEFBWBJZJUMEX-KDYLLFBJSA-N

物化性质

• 沸点：
  622.2±65.0 °C(predicted)
• 密度：
  1.45±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.76
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  68.96
• 氢给体数：
  0.0
• 氢受体数：
  7.0

文献信息

• ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES
  申请人：Schnider Patrich

  公开号：US20100137286A1

  公开（公告）日：2010-06-03

  The present invention is concerned with arylcyclohexylethers of dihydro-tetraazabenzoazulenes, i.e. arylcyclohexylethers of 5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes of formula I wherein R 1 , R 2 and R 3 are as described herein, their manufacture, and pharmaceutical compositions containing them. The compounds according to the invention act as V1a receptor modulators, and in particular as V1a receptor antagonists. The active compounds of the present invention are useful as therapeutics acting peripherally and centrally in the conditions of dysmenorrhea, male or female sexual dysfunction, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, and aggressive behavior.

  本发明涉及二氢四氮并苯并氮杂菁的芳基环己基醚，即式I的5,6-二氢-4H-2,3,5,10b-四氮并苯并[e]氮杂菁的芳基环己基醚，其中R1、R2和R3如本文所述，及其制备方法和含有它们的药物组合物。根据本发明的化合物作为V1a受体调节剂，特别是作为V1a受体拮抗剂。本发明的活性化合物在痛经、男性或女性性功能障碍、高血压、慢性心力衰竭、抗利尿激素不当分泌、肝硬化、肾病综合征、焦虑、抑郁障碍、强迫症、自闭症谱系障碍、精神分裂症和攻击行为等病症的外周和中枢治疗中具有用途。
• ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2370441A1

  公开（公告）日：2011-10-05
• ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2370441B1

  公开（公告）日：2013-09-11
• US8227458B2
  申请人：——

  公开号：US8227458B2

  公开（公告）日：2012-07-24
• US8461152B2
  申请人：——

  公开号：US8461152B2

  公开（公告）日：2013-06-11