isopropyl 2-(4-chlorophenyl)-3-oxo-2,3-dihydro[1]benzopyrano[4,3-c ]pyrazol-4-acetate | 128789-06-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: isopropyl 2-(4-chlorophenyl)-3-oxo-2,3-dihydro[1]benzopyrano[4,3-c ]pyrazol-4-acetate
• 英文别名: Propan-2-yl 2-[2-(4-chlorophenyl)-3-oxochromeno[4,3-c]pyrazol-4-yl]acetate
• CAS: 128789-06-0
• 化学式: C₂₁H₁₇ClN₂O₄
• 分子量: 396.83
• InChiKey: GCFGWPVRECFIMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Therapeutic agents
  申请人：The Boots Company PLC

  公开号：EP0354693A1

  公开（公告）日：1990-02-14

  This invention relates to compounds of formula I wherein R₁ represents hydrogen or together with R₂ represents a bond; R₂ together with either one of R₁ and R₃ represents a bond; R₃ together with either one of R₂ and R₄ represents a bond; R₄ represents hydrogen or together with R₃ represents a bond; R₅ represents hydrogen or methyl; R₆ represents hydrogen, halo, a C₂₋₆ alkanoyl group, a C₂₋₆ alkoxycarbonyl group, a C₁₋₆ alkylthio group, a C₁₋₆ alkylsulphinyl group, a C₁₋₆ alkylsulphonyl group, carbamoyl, carboxy, or R₅ and R₆ together with the carbon atom to which they are attached represent a cyclopropyl group; R₇ represents hydrogen, halo, trifluoromethyl, methoxy, a C₁₋₆ alkyl group, a C₁₋₆ alkylthio group or a C₁₋₆ alkylsulphinyl group; R₈ represents hydrogen, halo or trifluoromethyl; R₉ and R₁₀, which may be the same or different, each represent halo; or R₉ represents hydrogen and R₁₀ represents hydrogen, halo, trifluoromethyl, hydroxy, nitro, a C₂₋₆ alkanoyloxy group, a C₁₋₆ alkyl group or a C₁₋₆ alkoxy group, which have immunomodulatory activity. Compositions containing these compounds and processes to make them are also disclosed.

  这项发明涉及具有以下结构的化合物，其中R₁代表氢或与R₂一起代表键；R₂与R₁或R₃中的任一者一起代表键；R₃与R₂或R₄中的任一者一起代表键；R₄代表氢或与R₃一起代表键；R₅代表氢或甲基；R₆代表氢、卤素、C₂₋₆烷酰基、C₂₋₆烷氧羰基、C₁₋₆烷基硫基、C₁₋₆烷基砜基、C₁₋₆烷基砜基、氨基甲酰基、羧基，或R₅和R₆与它们连接的碳原子一起代表环丙基；R₇代表氢、卤素、三氟甲基、甲氧基、C₁₋₆烷基、C₁₋₆烷基硫基或C₁₋₆烷基砜基；R₈代表氢、卤素或三氟甲基；R₉和R₁₀，可以相同也可以不同，每个代表卤素；或R₉代表氢，R₁₀代表氢、卤素、三氟甲基、羟基、硝基、C₂₋₆烷酰氧基、C₁₋₆烷基或C₁₋₆烷氧基，具有免疫调节活性。还公开了含有这些化合物的组合物和制备它们的方法。