methyl 3-acetyl-4-propoxybenzoate | 135901-82-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 3-acetyl-4-propoxybenzoate
• CAS: 135901-82-5
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: ZHWXQBLTXQSITN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Pharmaceutical phenylpyridone derivatives
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0428268A2

  公开（公告）日：1991-05-22

  Compounds of the formula (1) : and pharmaceutically acceptable salts are described, wherein X is O or S; R¹ is C₁₋₆alkyl, C₂₋₆alkenyl, C₃₋₅cycloalkylC₁₋₄alkyl, or C₁₋₄alkyl substituted by 1 to 3 fluoro groups; R² is hydrogen, -CN, -CONR⁵R⁶, -CO₂R⁷, 5-tetrazolyl, -NO₂, -NH₂ or -NHCOR⁸ wherein R⁵ to R⁸ are independently hydrogen or C₁₋₄alkyl; R³ is hydrogen or C₁₋₄alkyl; R⁴ is hydrogen or C₁₋₄alkyl; and R is halo, C₁₋₄alkyl, C₁₋₄alkoxy, cyano, -CONR⁹R¹⁰, -CO₂R¹¹, -S(0)nC₁₋₄alkyl, -NO₂, -NH₂, -NHCOR¹², or -SO₂NR¹³R¹⁴ wherein n is 0, 1 or 2 and R⁹ to R¹⁴ are independently hydrogen or C₁₋₄alkyl; with the proviso that R¹ is not methyl when R² is -CO₂H, -CO₂CH₂CH₃ or -CN, X is 0, R³ is hydrogen, R⁴ is hydrogen or methyl and R is 6-methoxy. These compounds have bronchodilator, anti-allergic, vasodilator and anti-inflammatory activities. Pharmaceutical compositions are described as are methods of use. Processes for the preparation of the compounds of the formula (1) are described.

  描述了化合物的公式（1）：和药学上可接受的盐，其中X为O或S; R¹为C₁₋₆烷基，C₂₋₆烯基，C₃₋₅环烷基C₁₋₄烷基，或1至3个氟基取代的C₁₋₄烷基; R²为氢，-CN，-CONR⁵R⁶，-CO₂R⁷，5-四唑基，-NO₂，-NH₂或-NHCOR⁸，其中R⁵至R⁸独立地为氢或C₁₋₄烷基; R³为氢或C₁₋₄烷基; R⁴为氢或C₁₋₄烷基; R为卤素，C₁₋₄烷基，C₁₋₄烷氧基，氰基，-CONR⁹R¹⁰，-CO₂R¹¹，-S（0）nC₁₋₄烷基，-NO₂，-NH₂，-NHCOR¹²或-SO₂NR¹³R¹⁴，其中n为0、1或2，R⁹至R¹⁴独立地为氢或C₁₋₄烷基；但是当R²为-CO₂H，-CO₂CH₂CH₃或-CN，X为0，R³为氢，R⁴为氢或甲基，R为6-甲氧基时，R¹不是甲基。这些化合物具有支气管扩张剂、抗过敏、血管扩张剂和抗炎活性。描述了药物组合物以及使用方法。描述了制备化合物公式（1）的过程。
• US6046216A
  申请人：——

  公开号：US6046216A

  公开（公告）日：2000-04-04
• US6479520B1
  申请人：——

  公开号：US6479520B1

  公开（公告）日：2002-11-12