2-(4-Dimethylsulfamoyl-benzyl)-1,1,3-trioxo-1,2,3,4-tetrahydro-1l6-benzo[1,2,4]thiadiazine-7-carboxylic acid benzylamide | 449755-85-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: 2-(4-Dimethylsulfamoyl-benzyl)-1,1,3-trioxo-1,2,3,4-tetrahydro-1l6-benzo[1,2,4]thiadiazine-7-carboxylic acid benzylamide
• 英文别名: N-benzyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]-1,1,3-trioxo-4H-1lambda6,2,4-benzothiadiazine-7-carboxamide；N-benzyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]-1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxamide
• CAS: 449755-85-5
• 化学式: C₂₄H₂₄N₄O₆S₂
• 分子量: 528.61
• InChiKey: LJUGVANKOIQUTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  150
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Benzo thiadiazine matrix metalloproteinase inhibitors
  申请人：——

  公开号：US20020156069A1

  公开（公告）日：2002-10-24

  Selective MMP-13 inhibitors are benzo thiadiazines of the Formula 1 or a pharmaceutically acceptable salt thereof, wherein R 2 is hydrogen or alkyl; R 1 and R 3 include hydrogen, alkyl, and aryl, with the proviso that R 3 is not (CH 2 ) m biphenyl or (CH 2 ) m substituted biphenyl; X is O or NH, n is 0, 1, or 2. The compounds of Formula I, or a pharmaceutically acceptable salt thereof, is useful for treating diseases mediated by an MMP-13 enzyme, including diseases selected from osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure.

  选择性MMP-13抑制剂是公式1中的苯并噻二唑或其药学上可接受的盐，其中R2是氢或烷基；R1和R3包括氢，烷基和芳基，但有条件是R3不是（CH2）m联苯或（ ）m取代联苯；X是O或NH，n为0、1或2。公式I中的化合物或其药学上可接受的盐对于治疗由MMP-13酶介导的疾病有用，包括骨关节炎、类风湿性关节炎、癌症、炎症和心力衰竭等疾病。