3-diazoacetyl-8-methoxy-6,11-dihydrodibenzo-[b.e.]-thiepin-11-one | 73325-95-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: 3-diazoacetyl-8-methoxy-6,11-dihydrodibenzo-[b.e.]-thiepin-11-one
• 英文别名: 3-(2-diazoacetyl)-8-methoxy-6H-benzo[c][1]benzothiepin-11-one
• CAS: 73325-95-8
• 化学式: C₁₇H₁₂N₂O₃S
• 分子量: 324.36
• InChiKey: BXJCDSGDEGQURK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  70.7
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Novel 4-(8X-6,11-dihydrodibenzo-(b,e)-thiepin-11-one-3-yl)-4-oxobutyric acids, methods of preparation, compositions and uses thereof
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0003422A1

  公开（公告）日：1979-08-08

  Novel 4-(8X-6,11-dihydrodibenzo-[b.e.]-thiepin-11-one-3-yl)-4-oxobutyric acids of the formula: wherein X is hydrogen, methoxy or chloro; and the pharmaceutically acceptable salts and C,.,2 alkyl esters thereof. Also described are methods for the preparation of the compounds and pharmaceutical compositions containing them, and their use for treating pain, pyrexia and inflammation, and in delaying parturition in mammals.

  新颖的 4-(8X-6,11-二氢二苯并-[b.e.]-噻吩-11-酮-3-基)-4-氧代丁酸的式： 其中 X 为氢、甲氧基或氯；及其药学上可接受的盐和 C,.,2烷基酯。 还描述了制备这些化合物和含有它们的药物组合物的方法，以及它们在治疗疼痛、热病和炎症以及延迟哺乳动物分娩方面的用途。
• 6,11-Dihydrodibenzo-thiepin-11-ones and their S-oxides, methods for their preparation and pharmaceutical compositions containing them
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0005055A2

  公开（公告）日：1979-10-31

  Novel 6. 11-dihydrodibenzo-[b.e.]-thiepin-11-one S-oxides, and intermediates useful in the preparation thereof, having the formulae and wherein R is hydrogen, an alkyl group containing from 1 to twelve carbon atoms or a pharmaceutically acceptable salt thereof when R is hydrogen, R' is hydrogen, chloro or methoxy, R2 is hydrogen or methyl, and R3 is chloro or methoxy. The free acid or ester of compound II, or its 8-R3 unsubstituted equivalent, can be converted to the corresponding compound 1 by oxidation. The compounds and compositions containing them can be used for treating inflammation or other conditions in mammals.

  新颖的 6.11-二氢二苯并-[b.e.]-噻吩-11-酮 S-氧化物及其制备中间体，其式为 和 其中 R 为氢、含有 1 至 12 个碳原子的烷基或其药学上可接受的盐，当 R 为氢时，R'为氢、氯或甲氧基，R2 为氢或甲基，R3 为氯或甲氧基。 化合物 II 的游离酸或酯，或其 8-R3 未取代的等同物，可通过氧化转化为相应的化合物 1。这些化合物和含有它们的组合物可用于治疗哺乳动物的炎症或其他病症。
• US4130654A
  申请人：——

  公开号：US4130654A

  公开（公告）日：1978-12-19