Ethyl 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylselanyl]phenoxy]acetate | 896459-93-1

• 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-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylselanyl]phenoxy]acetate
• 英文别名: ethyl 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylselanyl]phenoxy]acetate
• CAS: 896459-93-1
• 化学式: C₂₃H₂₂F₃NO₃SSe
• 分子量: 528.454
• InChiKey: HHAYLZAPMXMROK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.92
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  76.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylselanyl]phenoxy]acetate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以92%的产率得到HK101225
  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-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methyl]selenyl]phenol 、 溴乙酸乙酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以94%的产率得到Ethyl 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylselanyl]phenoxy]acetate
  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