10-[3-Methyl-4-(pyridin-4-yl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid | 473264-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 10-[3-Methyl-4-(pyridin-4-yl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid
• 英文别名: 10-[3-Methyl-4-(4-pyridinyl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid；10-[3-Methyl-4-(pyridin-4-yl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1 c][1,4]benzodiazepine-3-carboxylic acid；10-[3-Methyl-4-(4-pyridinyl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1 c][1,4]benzodiazepine-3-carboxylic acid；5-(3-Methyl-4-pyridin-4-ylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid
• CAS: 473264-31-2
• 化学式: C₂₆H₂₁N₃O₃
• 分子量: 423.471
• InChiKey: CGJXIXLMDIVWDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  75.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [3-methyl-4-(pyridin-4-yl)phenyl][10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl]methanone 、 二异戊胺 、 三氯乙酰氯 在 sodium hydroxide 、 溶剂黄146 作用下， 以 二氯甲烷 、 乙酸乙酯 、 丙酮 为溶剂， 生成 10-[3-Methyl-4-(pyridin-4-yl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid
  参考文献：
  名称：

  Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists

  摘要：

  这项发明提供了新型的取代三环吡啶基羧酰胺，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、子宫内膜炎、术前剖宫产前期压制分娩以及促进孕产妇前往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、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（OCD）和神经精神障碍。

  公开号：

  US20030055047A1

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。
• 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。
• Stabilizing mixtures for organic polymers
  申请人：Great Lakes Chemical (Europe) GmbH

  公开号：EP1110999A2

  公开（公告）日：2001-06-27

  Stabilizing mixtures for organic polymers comprising: a) at least one compound belonging to the group of pyrazolones; b) at least one compound belonging to the group of organic phosphites or phosphonites; c) at least one compound belonging to the group of sterically hindered phenols; and optionally d) at least one compound belonging to the group of sterically hindered amines. The above mixtures are useful in the stabilization to degradation caused by oxygen, heat and/or light, of organic polymers.

  用于有机聚合物的稳定混合物，包括 a) 至少一种属于吡唑酮类的化合物； b) 至少一种属于有机亚磷酸酯或亚磷酸酯类的化合物； c) 至少一种属于立体受阻酚类的化合物；以及 d) 至少一种属于立体受阻胺类的化合物。 上述混合物可用于稳定有机聚合物，使其不受氧、热和/或光的影响而降解。
• 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
• US6224791B1
  申请人：——

  公开号：US6224791B1

  公开（公告）日：2001-05-01