2-(4-(2-(Trifluoromethyl)phenylsulfonyl)piperazin-1-yl)thiazole-5-carboxamide | 1222094-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(4-(2-(Trifluoromethyl)phenylsulfonyl)piperazin-1-yl)thiazole-5-carboxamide
• 英文别名: 2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
• CAS: 1222094-69-0
• 化学式: C₁₅H₁₅F₃N₄O₃S₂
• 分子量: 420.436
• InChiKey: PBXOWQOJFURGKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  在 氨 作用下， 以 甲醇 为溶剂， 生成 2-(4-(2-(Trifluoromethyl)phenylsulfonyl)piperazin-1-yl)thiazole-5-carboxamide
  参考文献：
  名称：

  SAR and optimization of thiazole analogs as potent stearoyl-CoA desaturase inhibitors

  摘要：

  Elevated stearoyl-CoA desaturase (SCD) activity has been linked to a number of metabolic disorders including obesity and type II diabetes. Compound 3j, a potent SCD inhibitor (human HepG2 IC(50) = 1 nM) was identified from the optimization of a lead thiazole compound MF-152 with over 100-fold improvement in potency. In a 4-week chronic oral dosing at 0.2 mg/ kg, 3j gave a robust 24% prevention of body weight gain in mice fed on a high fat diet accompanied with an improved metabolic profile on insulin and glucose levels. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.083