3-Methoxy-2,4-dimethylbenzoic acid | 246877-25-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Methoxy-2,4-dimethylbenzoic acid
• CAS: 246877-25-8
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.2
• InChiKey: XIGZVJDYUYJXNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Nortropyl benzopyrrolinone compounds, process for their preparation and pharmaceutical compositions containing them
  申请人：BEECHAM GROUP PLC

  公开号：EP0093488A2

  公开（公告）日：1983-11-09

  Compounds of formula (I) and pharmaceutically acceptable salt and/or solvates and/or N-oxides thereof: wherein: R2 and R3 are the same or different and are hydrogen, halogen, CF3, C1-6 alkyl, C1-7 acyl, C1-7 acylamino or amino, aminocarbonyl or aminosulphonyl optionally substituted by one or two C1-6 alkyl, C3-8 cycloalkyl, C3-8 cycloalkyl, C1-4 alkyl, phenyl or phenyl C1-4 alkyl groups either of which phenyl moieties may be substituted by one or more haiogen, trifluoromethyl, C1-6 alkoxy or nitro groups or N-substituted by C4-5 polymethylene, C1-6 alkylsulphonyl, C1-6 alkylsulphinyl, C1-6 alkoxy C1-6 alkylthio; hydroxy or nitro; or R2 and R3 taken together are methylenedioxy or ethylenedioxy; R4 is C1-7 alkyl or a group -(CH2)sR6 where s is 0 to 2 and R6 is a C3-8 cycloalkyl group, or a group -(CH2),R7 where t is 1 or 2 and R7 is a phenyl group optionally substituted by one or two substituents selected from C1-4 alkoxy, trifluoromethyl and halogen, carboxy, esterified carboxy, or C1-4 alkyl optionally substituted by hydroxy, C1-4 alkoxy in vivo hydrolysable acyloxy, carboxy, or esterified carboxy; or a thienyl group; p and q are independently 0 to 2; and r is 1 or 2. having dopamine antagonist activity, a process to their preparation and their use.

  式 (I) 化合物及其药学上可接受的盐和/或溶剂和/或 N-氧化物： 其中 R2 和 R3 相同或不同，并且是氢、卤素、CF3、C1-6 烷基、C1-7 乙酰基、C1-7 乙酰氨基或可选地被一个或两个 C1-6 烷基、C3-8 环烷基、C3-8 环烷基、C1-4 烷基取代的氨基、氨基羰基或氨基磺酰基、苯基或 C1-4 烷基苯基，其中任一苯基可被一个或多个海原基、三氟甲基、C1-6 烷氧基或硝基取代，或被 C4-5 聚亚甲基、C1-6 烷基磺酰基、C1-6 烷基亚磺酰基、C1-6 烷氧基、C1-6 烷硫基取代的 N羟基或硝基；或 R2 和 R3 合在一起是亚甲基二氧基或亚乙基二氧基；R4 是 C1-7 烷基或基团-(CH2)sR6，其中 s 是 0 至 2，R6 是 C3-8 环烷基，或基团-(CH2),R7，其中 t 是 1 或 2，R7 是苯基，可选择被一个或两个取代基取代，取代基可选 自 C1-4 烷氧基、三氟甲基和卤素、羧基、酯化羧基，或可选择被羟基、C1-4 烷氧基在体内可水解的酰氧基、羧基或酯化羧基取代的 C1-4 烷基；或噻吩基； p 和 q 独立地为 0 至 2；以及 具有多巴胺拮抗剂活性，其制备方法和用途。