8-chlorodibenz<1,4>oxazepine-10(11H)-carboxylic acid, 2-<2,2-difluoro-3-hydroxy-1-oxo-3-(4-pyridinyl)propyl>hydrazide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 8-chlorodibenz<1,4>oxazepine-10(11H)-carboxylic acid, 2-<2,2-difluoro-3-hydroxy-1-oxo-3-(4-pyridinyl)propyl>hydrazide
• 英文别名: 8-chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid, 2-[2,2-difluoro-3-hydroxy-1-oxo-3-(4-pyridinyl)propyl]hydrazide；3-chloro-N'-(2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
• 化学式: C₂₂H₁₇ClF₂N₄O₄
• 分子量: 474.851
• InChiKey: GTIRMYPHIMCURB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  ethyl α,α-difluoro-β-hydroxy-3-(4-pyridinyl)propanoate 在 一水合肼 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 8-chlorodibenz<1,4>oxazepine-10(11H)-carboxylic acid, 2-<2,2-difluoro-3-hydroxy-1-oxo-3-(4-pyridinyl)propyl>hydrazide
  参考文献：
  名称：

  N-Substituted dibenzoxazepines as analgesic PGE2 antagonists

  摘要：

  8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid, 2-acetylhydrazide (1, SC-19220) has been previously reported by us and others to be a PGE2 antagonist selective for the EP1 receptor subtype1 with antinociceptive activities.2 Analogs of SC-19220, in which the acetyl moiety has been replaced with pyridylpropionyl groups and their homologs, have been synthesized as illustrated by compounds 13 and 29. These and other members of this series have been shown to be efficacious analgesics and PGE2 antagonists of the EP1 subtype. This report discusses the structure activity relationships within this series.

  DOI：

  10.1021/jm00074a010

文献信息

• Substituted dibenzoxapine compounds, pharmaceutical compositions and
  申请人：G. D. Searle & Co.

  公开号：US05464830A1

  公开（公告）日：1995-11-07

  The present invention provides dibenzoxazepine compounds, of Formula I: ##STR1## which are useful as analgesic agents for the treatment of pain, pharmaceutical compositions comprising a therapeutically-effective amount of a compound of Formula I in combination with a pharmaceutically-acceptable carrier, and a method for eliminating or ameliorating pain in an animal comprising administering a therapeutically-effective amount of a compound of Formula I to the animal.

  本发明提供了二苯并噁唑化合物，化学式为I：##STR1## 该化合物可用作镇痛剂，用于治疗疼痛，药物组合物包括化合物I的治疗有效量与药物可接受载体的组合，以及一种用于消除或缓解动物疼痛的方法，包括向动物施用化合物I的治疗有效量。
• Substituted dibenzoxazepine compounds and methods for treating
  申请人：G.D. Searle & Co.

  公开号：US05576315A1

  公开（公告）日：1996-11-19

  The present invention provides dibenzoxazepine compounds of Formula I: ##STR1## which are useful as analgesic agents for the treatment of pain, pharmaceutical compositions comprising a therapeutically-effective amount of a compound of Formula I in combination with a pharmaceutically-acceptable carrier, and a method for eliminating or ameliorating pain in an animal comprising administering a therapeutically-effective amount of a compound of Formula I to the animal.

  本发明提供了一种二苯并噁唑化合物，其化学式为I：##STR1## 该化合物可用作镇痛剂治疗疼痛，药物组合物包括一种化合物I的治疗有效量和药学上可接受的载体，以及一种用于消除或缓解动物疼痛的方法，包括向动物投与化合物I的治疗有效量。