| 932025-04-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 932025-04-2
• 化学式: C₂₆H₂₉FN₂O₅
• 分子量: 468.525
• InChiKey: PXOJROCUTNKVIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  34.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  83.15
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (3Z)-2-[[4-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-3-propoxyiminobutanoic acid 、 (3E)-2-[(4-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}phenyl)methyl]-3-(propoxyimino)butanoic acid
  参考文献：
  名称：

  Design and synthesis of oxime ethers of α-acyl-β-phenylpropanoic acids as PPAR dual agonists

  摘要：

  Oxime ethers of alpha-acyl-(3-phenylpropanoic acids were prepared to apply as PPAR alpha and gamma dual agonists. Among them, compound 111 proved to exhibit potent in vitro activities with EC50 of 19 and 13 nM in PPAR alpha and gamma, respectively. It showed better glucose lowering effects than rosiglitazone 1 and ameliorated the lipid profile like plasma triglyceride in dbldb mice model. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.050
• 作为产物：
  描述：

  methyl (2E)-2-[(4-hydroxyphenyl)methylidene]-3-oxobutanoate 在 palladium dihydroxide 氢气 、 sodium acetate 、 caesium carbonate 作用下， 以 甲醇 、 乙酸乙酯 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of oxime ethers of α-acyl-β-phenylpropanoic acids as PPAR dual agonists

  摘要：

  Oxime ethers of alpha-acyl-(3-phenylpropanoic acids were prepared to apply as PPAR alpha and gamma dual agonists. Among them, compound 111 proved to exhibit potent in vitro activities with EC50 of 19 and 13 nM in PPAR alpha and gamma, respectively. It showed better glucose lowering effects than rosiglitazone 1 and ameliorated the lipid profile like plasma triglyceride in dbldb mice model. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.050