piperazine-1-carboxylic acid 2-methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetra-aza-benzo[f]azulene-9-carbonyl)-benzylamide | 500012-37-3

• 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: piperazine-1-carboxylic acid 2-methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetra-aza-benzo[f]azulene-9-carbonyl)-benzylamide
• 英文别名: 1-methyl-5-(3-methyl-4-(piperazine-1-carbonylaminomethyl)-benzoyl)-4,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine；N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]piperazine-1-carboxamide
• CAS: 500012-37-3
• 化学式: C₂₅H₂₉N₇O₂
• 分子量: 459.551
• InChiKey: QDGSHKLMALIMFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  94.5
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS
  申请人：Ferring B.V.

  公开号：EP1592693A1

  公开（公告）日：2005-11-09
• [EN] BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS<br/>[FR] DERIVES DE BENZAMIDE EN TANT QU'AGONISTES D'OXYTOCINE ET ANTAGONISTES DE VASOPRESSINE
  申请人：FERRING BV

  公开号：WO2004072083A1

  公开（公告）日：2004-08-26

  Novel compounds according to general formula 1, wherein Gl is NR5R6 or a fused polycyclic group that are specific OT receptor agonists and/or Vla receptor antagonists. Pharmaceutical compositions comprising such compounds are useful in the treatment of, inter alia, primary dysmenorrhoea.