| 945039-12-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 945039-12-3
• 化学式: C₂₅H₂₄F₃NO₄
• 分子量: 459.465
• InChiKey: SUFQYQRQQYNBHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.42
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  66.84
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以100%的产率得到4-[3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-4-trifluoromethoxy-phenyl]-butyric acid
  参考文献：
  名称：

  Dihydro-[1H]-quinolin-2-ones as retinoid X receptor (RXR) agonists for potential treatment of dyslipidemia

  摘要：

  A number of RXR modulators with novel structural features were synthesized and screened in the functional assays. The synthesis and the structure-activity relationship within the series of compounds will be presented. Some in vivo data generated in the models for dyslipidemia and diabetes will also be presented. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.049
• 作为产物：
  描述：

  1-Ethyl-7-[5-(4-hydroxy-but-1-ynyl)-2-trifluoromethoxy-phenyl]-4,4,6-trimethyl-3,4-dihydro-1H-quinolin-2-one 在 2,2,6,6-tetramethyl-piperidine-N-oxyl 、 sodium chlorite 作用下， 以 phosphate buffer 、 乙腈 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  Dihydro-[1H]-quinolin-2-ones as retinoid X receptor (RXR) agonists for potential treatment of dyslipidemia

  摘要：

  A number of RXR modulators with novel structural features were synthesized and screened in the functional assays. The synthesis and the structure-activity relationship within the series of compounds will be presented. Some in vivo data generated in the models for dyslipidemia and diabetes will also be presented. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.049