4-<2,4-dimethyl-5-<3-(benzoyloxy)propyl>phenyl>-4-oxobutyric acid | 124266-46-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-<2,4-dimethyl-5-<3-(benzoyloxy)propyl>phenyl>-4-oxobutyric acid
• CAS: 124266-46-2
• 化学式: C₂₂H₂₄O₅
• 分子量: 368.43
• InChiKey: MSNHIFZZVHJVDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.14
• 重原子数：
  27.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  80.67
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-<2,4-dimethyl-5-<3-(benzoyloxy)propyl>phenyl>-4-oxobutyric acid 在 盐酸 、 锌 作用下， 以 乙醚 为溶剂， 反应 1.0h， 生成 4-<2,4-dimethyl-5-<3-(benzoyloxy)propyl>phenyl>butyric acid
  参考文献：
  名称：

  3-Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors. 6. trans-6-[2-(Substituted-1-naphthyl)ethyl(or ethenyl)]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-ones

  摘要：

  A variety of trans-6-[2-(substituted-1-naphthyl)ethyl(or ethenyl)]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-ones were prepared and, upon conversion to their 3,5-dihydroxy carboxylates, were found to have good inhibitory activity against the enzyme 3-hydroxy-3-methylglutaryl-coenzyme A reductase, the rate-determining enzyme in cholesterogenesis. The most active compounds are 2,4,6- and 2,4,7-trichloro derivatives and would be expected to display about the same potency as the standard compactin upon resolution.

  DOI：

  10.1021/jm00164a047
• 作为产物：
  描述：

  苯甲酰氯 在 吡啶 、 三氯化铝 作用下， 以 various solvent(s) 为溶剂， 反应 2.0h， 生成 4-<2,4-dimethyl-5-<3-(benzoyloxy)propyl>phenyl>-4-oxobutyric acid
  参考文献：
  名称：

  3-Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors. 6. trans-6-[2-(Substituted-1-naphthyl)ethyl(or ethenyl)]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-ones

  摘要：

  A variety of trans-6-[2-(substituted-1-naphthyl)ethyl(or ethenyl)]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-ones were prepared and, upon conversion to their 3,5-dihydroxy carboxylates, were found to have good inhibitory activity against the enzyme 3-hydroxy-3-methylglutaryl-coenzyme A reductase, the rate-determining enzyme in cholesterogenesis. The most active compounds are 2,4,6- and 2,4,7-trichloro derivatives and would be expected to display about the same potency as the standard compactin upon resolution.

  DOI：

  10.1021/jm00164a047