巴洛伐坦 | 1228088-30-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 中文名称: 巴洛伐坦
• 英文名称: Balovaptan
• 英文别名: 8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
• CAS: 1228088-30-9
• 化学式: C₂₂H₂₄ClN₅O
• 分子量: 409.9
• InChiKey: GMPZPHGHNDMRKL-UHFFFAOYSA-N

物化性质

• 沸点：
  597.0±60.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜：62.5 mg/mL（152.47 mM）

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  56.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

文献信息

• [EN] SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF<br/>[FR] SYNTHÈSE DE TRANS-8-CHLORO-5-MÉTHYL-1-[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4 H-2,3,5,10B-TÉTRAAZA-BENZO[E]AZULÈNE ET LEURS FORMES CRISTALLINES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015082370A1

  公开（公告）日：2015-06-11

  The present invention provides processes to manufacture substituted l-[4-(Pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10b- tetraaza-benzo[e]azulenes. Also disclosed are compounds useful as intermediates in the methods of the invention.

  本发明提供了制备取代的l-[4-(吡啶-2-氧基)-环己基]-5,6-二氢-4H-2,3,5,10b-四氮杂苯并[e]吖啶的工艺。还公开了在本发明方法中作为中间体有用的化合物。
• 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。
• Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[E]azulene and crytalline forms thereof
  申请人：Hoffmann-La Roche Inc.

  公开号：US10246460B2

  公开（公告）日：2019-04-02

  The present invention provides processes to manufacture substituted 1-[4-(Pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes. Also disclosed are compounds useful as intermediates in the methods of the invention.

  本发明提供了制造取代的 1-[4-(吡啶-2-氧基)-环己基]-5,6-二氢-4H-2,3,5,10b-四氮杂苯并[e]氮烯的工艺。本发明还公开了可用作本发明方法中间体的化合物。
• V1A antagonists to treat phase shift sleep disorders
  申请人：Hoffmann-La Roche Inc.

  公开号：US10265327B2

  公开（公告）日：2019-04-23

  This invention relates to a new medical use for certain chemical compounds and pharmaceutical compositions containing them. The invention relates to compounds which are selective V1a antagonists for use in the treatment of phase shift sleep disorders, in particular jetlag. In another aspect, the invention relates to a pharmaceutical composition for use in the treatment of phase shift sleep disorders comprising a compound according to the invention and a pharmaceutically acceptable carrier.

  本发明涉及某些化合物和含有这些化合物的药物组合物的一种新的医疗用途。本发明涉及选择性 V1a 拮抗剂化合物，用于治疗相移睡眠障碍，特别是时差。另一方面，本发明涉及一种用于治疗相移睡眠障碍的药物组合物，该组合物由根据本发明的化合物和药学上可接受的载体组成。
• Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[e]azulene and crytalline forms thereof
  申请人：Hoffmann-La Roche Inc.

  公开号：US11040977B2

  公开（公告）日：2021-06-22

  The invention provides processes to manufacture substituted 1-[4-(Pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes. Also disclosed are compounds useful as intermediates in the methods of the invention.

  本发明提供了制造取代的 1-[4-(吡啶-2-氧基)-环己基]-5,6-二氢-4H-2,3,5,10b-四氮杂苯并[e]氮烯的工艺。本发明还公开了可用作本发明方法中间体的化合物。