1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]-4-(pyridin-2-YL)piperazine

• 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: 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]-4-(pyridin-2-YL)piperazine
• 英文别名: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-pyridin-2-ylpiperazine
• 化学式: C₁₆H₁₅ClF₃N₃O₂S
• 分子量: 405.828
• InChiKey: YXXPLTSNQUWYLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  61.9
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-(2-吡啶基)哌嗪 、 2-氯-5-（三氟甲基）苯-1-磺酰氯 以 二氯甲烷 为溶剂， 以91%的产率得到1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]-4-(pyridin-2-YL)piperazine
  参考文献：
  名称：

  Synthesis and Biological Evaluation of 4-Chloro-3,5-dinitrobenzotrifluoride Analogues as Antileishmanial Agents

  摘要：

  Desnitro analogues of 4-chloro-3,5-dinitrobenzotrifluoride (chloralin) (2), an in vitro microtubule inhibitor of several Leishmania species, have been synthesized from 2-halo-5-(trifluoromethyl)benzenesulfonyl chlorides 4 and 5. The analogues exhibited moderate to excellent activity when tested against Leishmania donovani amastigotes in vitro. Two representative compounds, 7f and 8, were tested against the Khartoum strain of L. donovani in a hamster model using chloralin (2) and Glucantime (one of the current therapeutics of choice in the treatment of Leishmania) as standards, the results of which will be discussed herein.

  DOI：

  10.1021/jm9804073