N-(2,3-dihydroxypropyl)-7,8-dimethoxy-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 | 473610-33-2

• 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-(2,3-dihydroxypropyl)-7,8-dimethoxy-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-(2,3-dihydroxypropyl)-2,3-dimethoxy-N-methyl-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide
• CAS: 473610-33-2
• 化学式: C₃₄H₃₄F₃N₃O₆
• 分子量: 637.656
• InChiKey: KRVWCTSPUBRONC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  46
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N-(2,3-dihydroxypropyl)-7,8-dimethoxy-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 、 氯甲酸三氯甲酯 、 三乙胺 、 二乙醇胺 在 二氯甲烷 、 水 、 magnesium sulfate 、 silica gel 、 甲醇 、 乙酸乙酯 作用下， 以 二氯甲烷 为溶剂， 反应 32.0h， 以to provide the title compound (0.036 g) as a white solid, m.p. 130-132° C.的产率得到N,N-Bis(2-hydroxyethyl)-7,8-dimethoxy-10-{[2-methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl]carbonyl}-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
  参考文献：
  名称：

  Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists

  摘要：

  该发明提供了新型的取代三环羧酰胺，其作为催产素受体竞争性拮抗剂，并提供其制造方法、药物组合物以及在治疗、抑制、压制或预防早产、痛经和子宫内膜炎、在剖腹产前抑制足月分娩以及促进孕妇前往医疗机构的使用方法。这些化合物还可用于提高农业动物的生育率、提高生存率和同步发情；并且可能有助于预防和治疗中枢神经系统中催产素系统功能障碍，包括强迫症和神经精神障碍。

  公开号：

  US06900200B2
• 作为产物：
  描述：

  7,8-dimethoxy-[10,11-dihydro-5H-pyrrolo [2,1-c][1,4]benzodiazepin-10-yl][2-methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methanone 、 3-甲胺基-1,2-丙二醇 、 氯甲酸三氯甲酯 在 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 N-(2,3-dihydroxypropyl)-7,8-dimethoxy-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
  参考文献：
  名称：

  Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists

  摘要：

  该发明提供了新颖的替代三环羧酰胺，其作为催产素受体竞争性拮抗剂，以及其制备方法、药物组合物和在治疗、抑制、压制或预防早产、痛经和子宫内膜炎、在剖宫产前抑制分娩以及促进孕妇转运至医疗机构的使用方法。这些化合物还可用于提高农场动物的生育率、提高存活率和同步动物的发情期；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具有用处。

  公开号：

  US20030018026A1

文献信息

• NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS
  申请人：Wyeth

  公开号：EP1377583A1

  公开（公告）日：2004-01-07
• US6900200B2
  申请人：——

  公开号：US6900200B2

  公开（公告）日：2005-05-31
• [EN] NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS<br/>[FR] NOUVEAUX HYDROXY CARBOXAMIDES TRICYCLIQUES ET LEURS DERIVES, ANTAGONISTES DU RECEPTEUR D'OXYTOCINE TOCOLYTIQUE
  申请人：WYETH CORP

  公开号：WO2002083680A1

  公开（公告）日：2002-10-24

  This invention provides novel substituted tricyclic carboxamides which act as oxytocin receptor competitive antagonists, as well as methods of their manufacture, pharmaceutical compositions and methods of their use in treatment, inhibition, suppression or prevention of preterm labor, dysmenorrhea and endometritis, suppression of labor at term prior to caesarean delivery, and to facilitate antinatal transport to a medical facility. 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.
• Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists
  申请人：Wyeth

  公开号：US20030018026A1

  公开（公告）日：2003-01-23

  This invention provides novel substituted tricyclic carboxamides which act as oxytocin receptor competitive antagonists, as well as methods of their manufacture, pharmaceutical compositions and methods of their use in treatment, inhibition, suppression or prevention of preterm labor, dysmenorrhea and endometritis, suppression of labor at term prior to caesarean delivery, and to facilitate antinatal transport to a medical facility. 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.

  该发明提供了新颖的替代三环羧酰胺，其作为催产素受体竞争性拮抗剂，以及其制备方法、药物组合物和在治疗、抑制、压制或预防早产、痛经和子宫内膜炎、在剖宫产前抑制分娩以及促进孕妇转运至医疗机构的使用方法。这些化合物还可用于提高农场动物的生育率、提高存活率和同步动物的发情期；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具有用处。
• Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists
  申请人：Failli Amedeo Arturo

  公开号：US06900200B2

  公开（公告）日：2005-05-31

  This invention provides novel substituted tricyclic carboxamides which act as oxytocin receptor competitive antagonists, as well as methods of their manufacture, pharmaceutical compositions and methods of their use in treatment, inhibition, suppression or prevention of preterm labor, dysmenorrhea and endometritis, suppression of labor at term prior to caesarean delivery, and to facilitate antinatal transport to a medical facility. 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.

  该发明提供了新型的取代三环羧酰胺，其作为催产素受体竞争性拮抗剂，并提供其制造方法、药物组合物以及在治疗、抑制、压制或预防早产、痛经和子宫内膜炎、在剖腹产前抑制足月分娩以及促进孕妇前往医疗机构的使用方法。这些化合物还可用于提高农业动物的生育率、提高生存率和同步发情；并且可能有助于预防和治疗中枢神经系统中催产素系统功能障碍，包括强迫症和神经精神障碍。