2-(4-Pyridinyl)-5H-thiazolo[4.5-g][1.4]-benzothiazin-6(7H)-one hydrobromide | 124954-13-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(4-Pyridinyl)-5H-thiazolo[4.5-g][1.4]-benzothiazin-6(7H)-one hydrobromide
• 英文别名: 2-pyridin-4-yl-5H-[1,3]thiazolo[4,5-g][1,4]benzothiazin-6-one;hydrobromide
• CAS: 124954-13-8
• 化学式: BrH*C₁₄H₉N₃OS₂
• 分子量: 380.289
• InChiKey: LBRTZNMLPRDOJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Heterocyclic compounds
  申请人：ORION CORPORATION LIMITED

  公开号：EP0322746A1

  公开（公告）日：1989-07-05

  Compounds of the formula and pharmaceutically acceptable salts thereof, in which A is -N = N-NH-, -X-C(R2) = N-. -N = C(R2)-X-, -X-CH(R2)-C(R2) = N- or -N=C(R2)-CH(R2)-X-,wherein X is sulphur, oxygen or a nitrogen moiety (preferably NH) and R2 is hydrogen, amino, substituted amino, C1-6alkyl, substituted acylamino or one of the following groups: wherein Ra is hydrogen, amino substituted amino, Ci-6alkoxy,a heterocyclic five membered ring or -NHCOR', wherein R' is C1-6alkyl, aryl or heterocyclic five membered ring, Rb is hydrogen. C1-6alkoxy, C1-5alkylthio or hydroxy, Rc is hydrogen, C1-6alkyl or oxygen, Rd is C1-6alkyl or oxygen, Re is hydrogen. hydroxy or C1-5alkoxy, and Rf is C1-6alkyl with the proviso that when two R2 groups are present in the A group, at least one of them is hydrogen, B is -(CH2)m-C(R3R4)-(CH2)n-, -C(R3)=CH-, -CH=C(R3)-, -O-[C-(R3R4)]n-, -[C(R3R4)n-O-. -S-[C(R3R4)]n or -[C(R3R4)]n-S-, wherein R3 and R4, which can be independently the same or different, are hydrogen, C1-6alkyl, aryl (preferably phenyl) or pyridyl and m and n are independently zero or 1; D is either oxygen or sulphur; the two R-groups are independently hydrogen, C1-6alkoxy. C1-6a[kyl, amino, acylamino, substituted acylamino, nitro, halogen, cyano, -CHO, carboxy, carbamoyl; R1 is hydrogen or C.-salkyl or R and R: together form a fused 6-membered heterocyclic ring. Said compounds are effective in the treatment of congestive heart failure.

  式中的化合物 及其药学上可接受的盐，其中 A 是 -N = N-NH-，-X-C(R2) = N-。-N=C(R2)-X-，-X-CH(R2)-C(R2)=N-或-N=C(R2)-CH(R2)-X-，其中 X 为硫、氧或氮基（优选 NH），R2 为氢、氨基、取代氨基、C1-6 烷基、取代酰氨基或下列基团之一： 其中 Ra 是氢、取代的氨基、Ci-6烷氧基、杂环五元环或 -NHCOR'，其中 R' 是 C1-6烷基、芳基或杂环五元环，Rb 是氢。C1-6烷氧基、C1-5烷硫基或羟基，Rc 是氢、C1-6烷基或氧，Rd 是 C1-6 烷基或氧，Re 是氢。Rf是C1-6烷基，但当A基团中有两个R2基团时，其中至少一个是氢，B是-(CH2)m-C(R3R4)-( )n-，-C(R3)=CH-，-CH=C(R3)-，-O-[C-(R3R4)]n-，-[C(R3R4)n-O-。C1-6a[基、氨基、酰氨基、取代的酰氨基、硝基、卤素、氰基、-CHO、羧基、氨基甲酰基；R1为氢或C.-烷基或R和R：共同形成一个融合的6元杂环。上述化合物可有效治疗充血性心力衰竭。
• US4963677A
  申请人：——

  公开号：US4963677A

  公开（公告）日：1990-10-16