3-(2-Methoxyethyl)-5-(5-methyl-3-oxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzothiazolin-2-one | 95657-87-7

• 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: 3-(2-Methoxyethyl)-5-(5-methyl-3-oxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzothiazolin-2-one
• 英文别名: 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one
• CAS: 95657-87-7
• 化学式: C₁₄H₁₆N₄O₃S
• 分子量: 320.372
• InChiKey: KYIBEQVYXSDCKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0122494A2

  公开（公告）日：1984-10-24

  New triazine derivatives represented by the formula: wherein R' is a 1, 2, 3, 4-tetrahydroauinolyl, 2-oxo-1, 2, 3, 4-tetrahydroquinolyl, 2-oxo-1, 2-dihydroquinolyl, indolyl, 2-oxoindolinyl, benzothiazolyl, 2-oxobenzothiazolinyl, 3,4-dihydro-1H-2, 1-benzothiazinyl in which the S atom optionally oxidized, or 3-oxo-2, 3-dihydro-4H-1, 4-benzoxazinyl, each of which may have one or more substituentis) selected from lower alkyl. hydroxy (lower) alkyl, lower alkylamino, lower alkanoyl, cyclic lower alkanoyl, lower alkoxy (lower) alkyl, lower alkylamino (lower) alkanoyl, benzyl, benryloxy (lower)-alkyl, lower alkoxycarbonyl (lower) alkyl and 4-(2-hydroxyethyl) piperazin-1-yl-carbonylmethyl; R2 is a hydrogen, lower alkenyl, benzyl, carboxy (lower)-alkyl or lower alkoxycarbonyl (lower) alkyl; R3 and R4, which may be the same or different, are each hydrogen or lower alkyl or together represent a bond; provided that when R' is 2-oxo-1, 2,3, 4-tetrahydroquinolyl which is unsubstituted or substituted by a lower alkyl, then, R4 is a hydrogen or R2 is a lower alkenyl, benzyl, carboxy (lower) alkyl or lower alkoxycarbonyl (lower) alkyl; and pharmaceutically acceptable salt thereof, which are useful in the treatment of hypertension, thrombosis and ulcer in human beings and animals.

  由以下式子表示的新型三嗪衍生物 其中 R'是1，2，3，4-四氢金酰基、 2-氧代-1，2，3，4-四氢喹啉基、 2-氧代-1，2-二氢喹啉基 吲哚基 2-氧代吲哚啉基 苯并噻唑基 2-氧代苯并噻唑啉基、 3,4-二氢-1H-2, 1-苯并噻嗪基，其中 S 原子可选择氧化，或 3-氧代-2,3-二氢-4H-1,4-苯并恶嗪基，其中每个基团都可以有一个或多个取代基，这些取代基选自低级烷基、羟基（低级）烷基、低级烷基氨基、低级烷酰基、环状低级烷酰基、低级烷氧基（低级）烷基、低级烷氨基（低级）烷酰基、苄基、苄氧基（低级）烷基、低级烷氧基羰基（低级）烷基和 4-(2-羟乙基)烷基。 4-（2-羟乙基）哌嗪-1-基羰基甲基； R2 是氢、低级烯基、苄基、羧基（低级）烷基或低级烷氧基羰基（低级）烷基； R3和R4可以相同或不同，各自为氢或低级烷基或共同代表一个键；但当R'为未取代或被低级烷基取代的2-氧代-1，2，3，4-四氢喹啉基时，则R4为氢或R2为低级烯基、苄基、羧基（低级）烷基或低级烷氧基羰基（低级）烷基；及其药学上可接受的盐，可用于治疗人和动物的高血压、血栓和溃疡。
• US4581356A
  申请人：——

  公开号：US4581356A

  公开（公告）日：1986-04-08