N-[2-(Dimethylamino)ethyl]-N-methyl-10-{[2-methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]carbonyl}-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide | 473261-44-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[2-(Dimethylamino)ethyl]-N-methyl-10-{[2-methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]carbonyl}-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
• 英文别名: N-[2-(dimethylamino)ethyl]-N-methyl-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide
• CAS: 473261-44-8
• 化学式: C₃₃H₃₃F₃N₄O₂
• 分子量: 574.646
• InChiKey: VRIBSYDCHWBYII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  48.8
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Novel tricyclic diazepines tocolytic oxytocin receptor antagonists
  申请人：Wyeth

  公开号：US20030008863A1

  公开（公告）日：2003-01-09

  This invention provides novel tricyclic diazepine compounds as well as methods and pharmaceutical compositions utilizing these compounds for the treatment and/or prevention and/or suppression of disorders which may be remedied or alleviated by oxytocin antagonist activity, including treatment of preterm labor, dysmenorrhea, endometritis, and for suppressing labor prior to caesarean delivery. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  这项发明提供了新颖的三环二氮杂平烯类化合物，以及利用这些化合物进行治疗和/或预防和/或抑制可能通过催产素拮抗剂活性得到缓解或减轻的疾病的方法和药物组合物，包括早产、经痛、子宫内膜炎的治疗，以及在剖宫产前抑制分娩。这些化合物还可用于提高农场动物的生育率、生存率和同步发情；并且可能在预防和治疗中枢神经系统中催产素系统功能障碍，包括强迫症（OCD）和神经精神障碍方面有用。
• TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS
  申请人：Wyeth

  公开号：EP1377586A1

  公开（公告）日：2004-01-07
• US7109193B2
  申请人：——

  公开号：US7109193B2

  公开（公告）日：2006-09-19
• [EN] TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS<br/>[FR] DIAZEPINES TRYCYCLIQUES UTILISEES COMME ANTAGONISTES TOCOLYTIQUES DES RECEPTEURS DE L'OXYTOCINE
  申请人：WYETH CORP

  公开号：WO2002083678A1

  公开（公告）日：2002-10-24

  This invention provides novel tricyclic diazepine compounds as well as methods and pharmaceutical compositions utilizing these compounds for the treatment and/or prevention and/or suppression of disorders which may be remedied or alleviated by oxytocin antagonist acivity, including treatment of preterm labor, dysmerorrhea, endometritis, and for suppressing labor prior to caesarean delivery. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.