S-(2,5-dimethyl-1-oxo-2-indanyl)thiocarbazate | 98710-15-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: S-(2,5-dimethyl-1-oxo-2-indanyl)thiocarbazate
• 英文别名: S-[(2,6-dimethyl-3-oxo-1H-inden-2-yl)] N-aminocarbamothioate
• CAS: 98710-15-7
• 化学式: C₁₂H₁₄N₂O₂S
• 分子量: 250.321
• InChiKey: ZBCSDINYVTULEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  97.5
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Thiadiazinone compounds, process for their preparation, and pharmaceutical compositions containing them
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0145236A2

  公开（公告）日：1985-06-19

  Compounds of the formula (I):- and salts thereof, wherein R' is hydrogen, C1-6 alkyl, halo, cyano, nitro, amino, a group -NHCOR4, a group -COR5, or a group -NHC(NCN)NHR6; wherein R4 is hydrogen, C1-6 alkoxy, C1-6alkyl optionally substituted by phenyl, or R4 is a group NR7R8 wherein R7 and R8 are independently hydrogen, C1-6salkyl or benzyl; R5 is hydroxy, hydrogen, C1-6alkyl, C1-6alkoxy, or a group -NR7R8; and R6 is hydrogen or C1-6alkyl; R2 is hydrogen or C1-4alkyl; R3 is hydrogen or C1-4alkyl; and n is one, and when R3 is hydrogen n can also be two. Processes and intermediates for their preparation are described. Pharmaceutical compositions containing them are described, as is their use as inotropic agents.

  式(I)化合物 及其盐类，其中 R'是氢、C1-6烷基、卤代、氰基、硝基、氨基、基团-NHCOR4、基团-COR5 或基团-NHC(NCN)NHR6；其中 R4 是氢、C1-6烷氧基、任选被苯基取代的 C1-6 烷基，或 R4 是基团 NR7R8，其中 R7 和 R8 独立地是氢、C1-6烷基或苄基；R5是羟基、氢、C1-6烷基、C1-6烷氧基或基团-NR7R8；R6是氢或C1-6烷基；R2是氢或C1-4烷基；R3是氢或C1-4烷基；n是1，当R3是氢时，n也可以是2。 介绍了制备它们的工艺和中间体。描述了含有它们的药物组合物，以及它们作为肌张力剂的用途。
• US4616013A
  申请人：——

  公开号：US4616013A

  公开（公告）日：1986-10-07