10-[(2'-methyl-1,1'-biphenyl-4-yl)carbonyl]-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

• 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: 10-[(2'-methyl-1,1'-biphenyl-4-yl)carbonyl]-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
• 英文别名: 10-[(2'-Methyl-[1,1'-biphenyl]-4-yl)carbonyl]-N-(3-pyridinylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide；5-[4-(2-methylphenyl)benzoyl]-N-(pyridin-3-ylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide
• 化学式: C₃₃H₂₈N₄O₂
• 分子量: 512.611
• InChiKey: VFMBPXAXEGMEFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氨甲基吡啶 、 2,2,2-trichloro-1-{10-[(2'-methyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone 在 二甲基亚砜 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以77%的产率得到10-[(2'-methyl-1,1'-biphenyl-4-yl)carbonyl]-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
  参考文献：
  名称：

  Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists

  摘要：

  这项发明提供了从式（1）中选择的吡咯苯并二氮杂吡咯烷吡啶羧酰胺，其作为卵泡刺激素受体拮抗剂。该发明还提供了利用式（1）和（2）化合物的药物组合物和治疗方法。

  公开号：

  US20060287522A1

文献信息

• 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。
• NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS
  申请人：Wyeth

  公开号：EP1377581A1

  公开（公告）日：2004-01-07
• US7064120B2
  申请人：——

  公开号：US7064120B2

  公开（公告）日：2006-06-20
• US7678787B2
  申请人：——

  公开号：US7678787B2

  公开（公告）日：2010-03-16
• [EN] NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS<br/>[FR] NOUVEAUX CARBOXAMIDES TRICYCLIQUES DE PYRIDYLE ET DERIVES DE CES CARBOXAMIDES UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR DE L'OXYTOCINE A EFFET TOCOLYTIQUE
  申请人：WYETH CORP

  公开号：WO2002083683A1

  公开（公告）日：2002-10-24

  The invention provides novel substituted tricyclic pyridyl carboxamides selected from those of Formula (I) 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.