ethyl 2-methyl-2-(2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)selanyl)phenoxy)propanoate | 1262017-75-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-methyl-2-(2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)selanyl)phenoxy)propanoate
• CAS: 1262017-75-3
• 化学式: C₂₅H₂₆F₃NO₃SSe
• 分子量: 556.508
• InChiKey: VIHRIKFULFZJKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  48.42
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-methyl-2-(2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)selanyl)phenoxy)propanoate 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以82%的产率得到2-Methyl-2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methylselanyl)phenoxy)propanoic acid
  参考文献：
  名称：

  Selective peroxisome proliferator-activated receptor δ isosteric selenium agonists as potent anti-atherogenic agents in vivo

  摘要：

  We report the synthesis and in vivo activity of a novel anti-atherogenic agent, isosteric selenium PPAR delta-selective ligand. This ligand did not cause significant body or liver weight changes and did not have obvious adverse effects on intestinal polyp formation. Our overall results clearly demonstrate that PPAR delta is a viable drug candidate for targeting and treating atherosclerosis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.103
• 作为产物：
  描述：

  2-溴-2-甲基丙酸乙酯 、 2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methyl]selenyl]phenol 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以72%的产率得到ethyl 2-methyl-2-(2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)selanyl)phenoxy)propanoate
  参考文献：
  名称：

  Selective peroxisome proliferator-activated receptor δ isosteric selenium agonists as potent anti-atherogenic agents in vivo

  摘要：

  We report the synthesis and in vivo activity of a novel anti-atherogenic agent, isosteric selenium PPAR delta-selective ligand. This ligand did not cause significant body or liver weight changes and did not have obvious adverse effects on intestinal polyp formation. Our overall results clearly demonstrate that PPAR delta is a viable drug candidate for targeting and treating atherosclerosis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.103