| 1025127-71-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• CAS: 1025127-71-2
• 化学式: C₃₇H₄₁ClN₂O₅
• 分子量: 629.196
• InChiKey: NIWUYICPOFNVHN-CDZUIXILSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.14
• 重原子数：
  45.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.87
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (2S,3S)-1-(4-tert-butylphenyl)-3-[[3-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-4-oxoazetidine-2-carboxylic acid
  参考文献：
  名称：

  Discovery of azetidinone acids as conformationally-constrained dual PPARα/γ agonists

  摘要：

  A novel class of azetidinone acid-derived dual PPAR alpha/gamma agonists has been synthesized for the treatment of diabetes and dyslipidemia. The preferred stereochemistry in this series for binding and functional agonist activity against both PPAR alpha and PPAR gamma receptors was shown to be 3S,4S. Synthesis, in vitro and in vivo activities of compounds in this series are described. A high-yielding method for N-arylation of azetidinone esters is also described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.126
• 作为产物：
  描述：

  、 tert-butyl (2S,3S)-1-(4-tert-butylphenyl)-3-[(3-hydroxyphenyl)methyl]-4-oxoazetidine-2-carboxylate 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Discovery of azetidinone acids as conformationally-constrained dual PPARα/γ agonists

  摘要：

  A novel class of azetidinone acid-derived dual PPAR alpha/gamma agonists has been synthesized for the treatment of diabetes and dyslipidemia. The preferred stereochemistry in this series for binding and functional agonist activity against both PPAR alpha and PPAR gamma receptors was shown to be 3S,4S. Synthesis, in vitro and in vivo activities of compounds in this series are described. A high-yielding method for N-arylation of azetidinone esters is also described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.126