(4-bromo-2-chloro-phenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone | 220461-97-2

• 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: (4-bromo-2-chloro-phenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone
• 英文别名: (4-bromo-2-chlorophenyl)-(5H,11H-pyrrolo[2,1-c][1,4] benzodiazepin-10-yl)-methanone；(4-Bromo-2-chlorophenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone；(4-bromo-2-chlorophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
• CAS: 220461-97-2
• 化学式: C₁₉H₁₄BrClN₂O
• 分子量: 401.69
• InChiKey: MPIBVIPTXCXUNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  25.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (4-bromo-2-chloro-phenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone 、 三丁基(1-乙氧基乙烯)锡 在 盐酸 作用下， 以 乙醚 、 甲苯 为溶剂， 生成 1-[4-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepine-10-carbonyl)-3-chlorophenyl]-ethanone
  参考文献：
  名称：

  Tricyclic vasopressin agonists

  摘要：

  这项发明涉及从一般式(I)的化合物中选出的新化合物，或其药用可接受的盐、酯或前药形式：其中D、E和G为N或CH，它们作为抗利尿素激动剂，可用于治疗疾病，如尿崩症、夜尿症、夜尿频、尿失禁、出血和凝血障碍，以及暂时延迟排尿的无能力，以及用于相同目的的制药组合物和方法。

  公开号：

  US06511974B1
• 作为产物：
  描述：

  4-溴-2-氯苯甲酰氯 、 10,11-二氢-5H-苯并[E]吡咯并[1,2-a][1,4]二氮杂卓 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 生成 (4-bromo-2-chloro-phenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone
  参考文献：
  名称：

  Vasopressin agonist formulation and process

  摘要：

  该发明提供了用于加压素激动剂化合物的新型配方，或其药用盐，具有以下一般结构：并提供制备它们的方法，所述配方包括约1%至约20%的活性成分，约1%至约18%的表面活性剂成分，约50%至约80%的一种或多种聚乙二醇成分，约1%至约20%的一种或多种蔗糖脂肪酸酯和/或聚乙烯吡咯烷酮成分，以及可选地，一种或多种防腐剂或抗氧化剂。

  公开号：

  US06831079B1

文献信息

• Vasopressin agonist formulation and process
  申请人：American Cyanamid Company

  公开号：US06831079B1

  公开（公告）日：2004-12-14

  This invention provides novel formulations for vasopressin agonist compounds, or a pharmaceutically acceptable salt thereof, having the general structure: and processes for making them, the formulations comprising from about 1% to about 20% of active ingredient, from about 1% to about 18% of a surfactant component, from about 50% to about 80% of a component of one or more polyethylene glycols, from about 1% to about 20% of a component of one or more sucrose fatty acid esters and/or polyvinylpyrrolidone and, optionally, one or more preservatives or antioxidants.

  该发明提供了用于加压素激动剂化合物的新型配方，或其药用盐，具有以下一般结构：并提供制备它们的方法，所述配方包括约1%至约20%的活性成分，约1%至约18%的表面活性剂成分，约50%至约80%的一种或多种聚乙二醇成分，约1%至约20%的一种或多种蔗糖脂肪酸酯和/或聚乙烯吡咯烷酮成分，以及可选地，一种或多种防腐剂或抗氧化剂。
• Tricyclic vasopressin agonists
  申请人：Wyeth

  公开号：US06511974B1

  公开（公告）日：2003-01-28

  This invention relates to new compounds selected from those of the general formula (I), or a pharmaceutically acceptable salt, ester or prodrug form thereof: wherein D, E and G are N or CH, which serve as vasopressin agonists and are useful in treating disorders such as diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, and the inability to temporarily delay urination and pharmaceutical compositions and methods for same.

  这项发明涉及从一般式(I)的化合物中选出的新化合物，或其药用可接受的盐、酯或前药形式：其中D、E和G为N或CH，它们作为抗利尿素激动剂，可用于治疗疾病，如尿崩症、夜尿症、夜尿频、尿失禁、出血和凝血障碍，以及暂时延迟排尿的无能力，以及用于相同目的的制药组合物和方法。
• 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 pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists
  申请人：Wyeth

  公开号：US20030055047A1

  公开（公告）日：2003-03-20

  This invention provides novel substituted tricyclic pyridyl 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, 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.

  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。
• 1H-pyrido[2,3-b][1,5]benzodiazipine vasopressin agonists
  申请人：American Home Products Corporation

  公开号：US06268360B1

  公开（公告）日：2001-07-31

  The present invention provides compounds of the general formula: wherein Y is a moiety selected independently, from NH or —(CH2)n— wherein n is 1; m is an integer from 1 to 2; and the moiety represents: (1) a 5-membered aromatic (unsaturated) heterocyclic ring having one nitrogen (wherein A is nitrogen, and B and C are CH), (2) a 6-membered aromatic (unsaturated) heterocyclic ring having one nitrogen (wherein A is carbon, B is nitrogen, and C is —CH—CH—), (3) a 6-membered aromatic (unsaturated) ring (wherein A is carbon, B is CH, and C is —CH—CH—); as well as methods and pharmaceutical compositions utilizing these compounds for the treatment of disorder which may be remedied or alleviated by vasopressin agonist activity, including diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, or temporary delay of urination.

  本发明提供了一般式化合物：其中Y是一个独立选择的基团，来自NH或—(CH2)n—其中n为1；m是1到2之间的整数；基团表示为：(1)具有一个氮原子的5-成员芳香(不饱和)杂环环（其中A为氮，B和C为CH），(2)具有一个氮原子的6-成员芳香(不饱和)杂环环（其中A为碳，B为氮，C为—CH—CH—），(3)一个6-成员芳香(不饱和)环（其中A为碳，B为CH，C为—CH—CH—）；以及利用这些化合物的方法和药物组合物，用于治疗可能通过抗利尿素活性得以缓解或治愈的紊乱，包括尿崩症、夜尿症、夜尿、尿失禁、出血和凝血障碍，或暂时延迟排尿。