N-[2-(8-chloro-10,11-dihydrodibenz[b,f][1,4]oxazepin-10-yl)-2-oxoethyl]-3-(ethylsulfonyl)propanamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[2-(8-chloro-10,11-dihydrodibenz[b,f][1,4]oxazepin-10-yl)-2-oxoethyl]-3-(ethylsulfonyl)propanamide
• 英文别名: N-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxoethyl]-3-ethylsulfonylpropanamide
• 化学式: C₂₀H₂₁ClN₂O₅S
• 分子量: 436.916
• InChiKey: UNUFNTGDXWPZFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  8-chloro-10,11-dihydro-10-<(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl>dibenz<1,4>oxazepine 在 双氧水 、 一水合肼 、 溶剂黄146 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 11.0h， 生成 N-[2-(8-chloro-10,11-dihydrodibenz[b,f][1,4]oxazepin-10-yl)-2-oxoethyl]-3-(ethylsulfonyl)propanamide
  参考文献：
  名称：

  Aminoacetyl Moiety as a Potential Surrogate for Diacylhydrazine Group of SC-51089, a Potent PGE₂ Antagonist, and Its Analogs

  摘要：

  8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid, 2-[1-oxo-3-(4-pyridinyl)propyl]hydrazide, monohydrochloride (1, SC-51089) is a functional PGE(2) antagonist selective for the EP(1) receptor subtype with antinociceptive activity. During metabolism in cultured rat hepatocytes, SC-51089, which contains a diacylhydrazine moiety, has been shown to release hydrazine. Analogs of SC-51089, in which the diacylhydrazine functionality has been replaced by isosteric and isoelectronic groups, have been synthesized and have been shown to be analgesics and PGE(2) antagonists of the EP(1) subtype. This report discusses the structure-activity relationships within these series.

  DOI：

  10.1021/jm950454k

文献信息

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

  公开号：US05212169A1

  公开（公告）日：1993-05-18

  The present invention provides substituted 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.

  本发明提供了一种具有以下结构的取代二苯并噁唑酚化合物，该化合物对于治疗疼痛具有用途：##STR1## 这些化合物可作为镇痛剂用于治疗疼痛，所述药物组合物包括在与药学上可接受的载体结合的化合物I的治疗有效量，以及一种用于消除或减轻动物疼痛的方法，包括向动物施用化合物I的治疗有效量。
• SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ANALGESIC AGENTS AND PROSTAGLANDIN ANTAGONISTS
  申请人：G.D. Searle & Co.

  公开号：EP0539977A1

  公开（公告）日：1993-05-05

  The present invention provides substituted dibenzoxazepine compounds of Formula I: 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.

  本发明提供了式 I 的取代二苯并氧氮杂卓化合物： 可用作治疗疼痛的镇痛剂；包含治疗有效量的式 I 化合物与药学上可接受的载体的药物组合物；以及消除或改善动物疼痛的方法，该方法包括对动物施用治疗有效量的式 I 化合物。
• SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS AS ANALGESIC AGENTS
  申请人：G.D. SEARLE & CO.

  公开号：EP0610303A1

  公开（公告）日：1994-08-17
• US5212169A
  申请人：——

  公开号：US5212169A

  公开（公告）日：1993-05-18
• US5288719A
  申请人：——

  公开号：US5288719A

  公开（公告）日：1994-02-22