7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one | 55824-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
• 英文别名: 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
• CAS: 55824-92-5
• 化学式: C₁₁H₈N₄O
• 分子量: 212.211
• InChiKey: HSYQTCOLRFLYAI-UHFFFAOYSA-N

物化性质

• 熔点：
  258-260 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Anti-inflammatory 7-phenyl pyrazolo-[1,5A]-1,3,5-triazine derivatives
  申请人：BIOMEASURE INC.

  公开号：EP0207651A2

  公开（公告）日：1987-01-07

  Compounds of general formula 11: wherein either XA represents a thioalkyl group and the moiety represents , wherein Y represents a hydroxyalkylamino, dialkylamino, carboxyalkylamino, N-heterocycloalkyl, heteroalkylthioalkylamino, alkylthiocarboxyalkylamino or heteroarylthioalkylamino group, or XA represents a thioalkyl thioaralkyl or thioheteroaralkyl group and the moiety represents wherein B represents a hydrogen atom or a carboalkoxy, alkyl, allyl or benzyl group, and their salts, are non-steroidal anti-inflammatory agents, such as are useful in the treatment of arthritis.

  通式 11 的化合物：其中 XA 代表硫代烷基且分子代表 ，Y 代表羟基烷基氨基、二烷基氨基、羧基烷基氨基、N-杂环烷基、杂烷基硫代烷基氨基、烷基硫代羧基烷基氨基或杂芳基硫代烷基氨基，或 XA 代表硫代烷基硫代烷基或硫代杂环烷基且分子代表，其中 B 代表氢原子或羧基烷氧基、烷基、烯丙基或苄基，及其盐类为非甾体抗炎剂，如用于治疗关节炎。
• METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES
  申请人：Schotzinger Robert J.

  公开号：US20100305078A1

  公开（公告）日：2010-12-02

  The presently disclosed subject matter is directed to metallo-oxidoreductase inhibitors having metal binding moities linked to a targeting moiety through a linking group or a direct bond, methods for screening for metallo-oxidoreductase inhibitors, and methods of treating an oxidoreductase related disorder by administering a metallo-oxidoreductase inhibitor to a subject in need of treatment thereof.