c-5-[4-(4-methoxyphenyl)butyl]-r-2-methyl-1,3-dioxane-2-carboxylic acid | 1089672-36-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: c-5-[4-(4-methoxyphenyl)butyl]-r-2-methyl-1,3-dioxane-2-carboxylic acid
• CAS: 1089672-36-5
• 化学式: C₁₇H₂₄O₅
• 分子量: 308.375
• InChiKey: LGXPKRSFNASKEC-KDYLLFBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  64.99
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  methyl (2s,5s)-5-(4-(4-methoxyphenyl)butyl)-2-methyl-1,3-dioxane-2-carboxylate 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 18.0h， 以80%的产率得到c-5-[4-(4-methoxyphenyl)butyl]-r-2-methyl-1,3-dioxane-2-carboxylic acid
  参考文献：
  名称：

  Discovery of a highly orally bioavailable c-5-[6-(4-Methanesulfonyloxyphenyl)hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid as a potent hypoglycemic and hypolipidemic agent

  摘要：

  A series of novel 1,3-dioxane-2-carboxylic acid derivatives containing alkyl chain tether and substituted phenyl group as a lipophilic tail have been prepared as agonists of PPAR alpha and gamma. c-5-[6-(4-Methanesulfonyloxyphenyl) hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid 13c exhibited potent hypoglycemic and lipid lowering activity with high oral bioavailability in animal models. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.112

文献信息

• Discovery of a highly orally bioavailable c-5-[6-(4-Methanesulfonyloxyphenyl)hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid as a potent hypoglycemic and hypolipidemic agent
  作者：Harikishore Pingali、Mukul Jain、Shailesh Shah、Sujay Basu、Pankaj Makadia、Amitgiri Goswami、Pandurang Zaware、Pravin Patil、Atul Godha、Suresh Giri、Ashish Goel、Megha Patel、Harilal Patel、Pankaj Patel

  DOI：10.1016/j.bmcl.2008.08.112

  日期：2008.10

  A series of novel 1,3-dioxane-2-carboxylic acid derivatives containing alkyl chain tether and substituted phenyl group as a lipophilic tail have been prepared as agonists of PPAR alpha and gamma. c-5-[6-(4-Methanesulfonyloxyphenyl) hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid 13c exhibited potent hypoglycemic and lipid lowering activity with high oral bioavailability in animal models. (C) 2008 Elsevier Ltd. All rights reserved.