8-methylsulfinyldibenzo[b,f]thiepin-3-carboxaldehyde-5-oxide | 79288-60-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 8-methylsulfinyldibenzo[b,f]thiepin-3-carboxaldehyde-5-oxide
• 英文别名: 3-Methylsulfinyl-11-oxobenzo[b][1]benzothiepine-9-carbaldehyde
• CAS: 79288-60-1
• 化学式: C₁₆H₁₂O₃S₂
• 分子量: 316.401
• InChiKey: MUWZKQKPNXHWRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  98.7
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• 3-Substituted dibenzo [b,f] thiepins, compositions containing them and their use as prostaglandin antagonists
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0138532A2

  公开（公告）日：1985-04-24

  Dibenzo[b,f]thiepin-3-substituted derivatives having the formula: and their pharmaceutically acceptable salts are novel. They are made into pharmaceutical compositions and used in the treatment and control of allergic conditions such as allergic asthma. In the formula: Z is thio, sulfinyl or sulfonyl; X is N-R3 or where R3 is hydrogen, C1-4 alkyl, aryl, hydroxy, C1-4 alkoxy, C1-4 acyloxy, amino or C1-4 alkylamino; each of Y and T, independently of the other, is NR4, O or S, and each of R4 and R5, independently of the other, is hydrogen or C1-4 alkyl; and the broken line represents a possible bond between R4 and R5 when neither of them is hydrogen; each of R1 and R2, independently of the other, is hydrogen, halogen, amino, C1-4 alkyl, C1-4 alkanoyl, hydroxyl, C1-4 alkoxy, thio, C1-4 alkylthio, C1-4 alkylsulfinyl, C1-4 alkylsulfonyl, trifluoromethyl, trifluoromethylthio, cyano, nitro, C1-4 alkylamino, di(C1-4 alkyl)amino, benzyl, phenethyl or hydroxyalkyl; and the dotted line indicates either an olefinic bond or saturation at the 10-, 11-position.

  具有以下式子的二苯并[b,f]硫杂卓-3-取代衍生物及其药学上可接受的盐是新颖的： 的二苯并[b,f]硫杂卓-3-取代衍生物及其药学上可接受的盐类是新型的。它们可制成药物组合物，用于治疗和控制过敏性疾病，如过敏性哮喘。式中 Z 是硫基、亚砜基或磺酰基； X 是 N-R3 或 其中 R3 是氢、C1-4 烷基、芳基、羟基、C1-4 烷氧基、C1-4 乙酰氧基、氨基或 C1-4 烷基氨基；Y 和 T 各自独立地是 NR4、O 或 S，R4 和 R5 各自独立地是氢或 C1-4 烷基；当 R4 和 R5 都不是氢时，断线代表它们之间可能存在的键； R1 和 R2 各自独立地为氢、卤素、氨基、C1-4 烷基、C1-4 烷酰基、羟基、C1-4 烷氧基、硫代、C1-4 烷硫基、C1-4 烷基亚磺酰基、C1-4 烷基磺酰基、三氟甲基、三氟甲硫基、氰基、硝基、C1-4 烷氨基、二（C1-4 烷基）氨基、苄基、苯乙基或羟烷基；以及 虚线表示烯烃键或 10、11 位饱和。
• 3-Hydroxymethyldibenzo(b,f)thiepins and dibenzo(b,f)thiepin-3-carboxaldehydes as prostaglandin antagonists, process for their preparation and pharmaceutical compositions
  申请人：MERCK SHARP & DOHME (I.A.) CORP.

  公开号：EP0029587B1

  公开（公告）日：1984-06-13
• US4535171A
  申请人：——

  公开号：US4535171A

  公开（公告）日：1985-08-13