表洛伐他汀羟基酸钠盐 | 101400-30-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 中文名称: 表洛伐他汀羟基酸钠盐
• 英文名称: Sodium; (3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-((R)-2-methyl-butyryloxy)-1,2,6,7,8,8a-hexahydro-naphthalen-1-yl]-3,5-dihydroxy-heptanoate
• 英文别名: Epi Lovastatin Hydroxy Acid Sodium Salt；sodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-[(2R)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
• CAS: 101400-30-0
• 化学式: C₂₄H₃₇O₆*Na
• 分子量: 444.544
• InChiKey: LXZBFUBRYYVRQJ-UWDHSZNSSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.62
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  表洛伐他汀羟基酸钠盐 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 monacolin K (hydroxy acid form)
  参考文献：
  名称：

  3-Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors. 4. Side-chain ester derivatives of mevinolin

  摘要：

  Modification of the 2(S)-methylbutyryl moiety of mevinolin led to a series of side chain ester derivatives. A systematic exploration of the structure-activity relationships showed that the introduction of an additional aliphatic group on the carbon alpha to the carbonyl group increased potency. This observation led to the synthesis of compound 16, which has about 2.5 times the intrinsic inhibitory activity of mevinolin.

  DOI：

  10.1021/jm00155a040

文献信息

• 3-Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors. 4. Side-chain ester derivatives of mevinolin
  作者：W. F. Hoffman、A. W. Alberts、P. S. Anderson、J. S. Chen、R. L. Smith、A. K. Willard

  DOI：10.1021/jm00155a040

  日期：1986.5

  Modification of the 2(S)-methylbutyryl moiety of mevinolin led to a series of side chain ester derivatives. A systematic exploration of the structure-activity relationships showed that the introduction of an additional aliphatic group on the carbon alpha to the carbonyl group increased potency. This observation led to the synthesis of compound 16, which has about 2.5 times the intrinsic inhibitory activity of mevinolin.