1-(4-(4,6-dimethylpyrimidin-2-ylthio)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea | 1263499-67-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-(4-(4,6-dimethylpyrimidin-2-ylthio)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
• 英文别名: 1-[4-(4,6-Dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
• CAS: 1263499-67-7
• 化学式: C₂₀H₁₇F₃N₄O₂S
• 分子量: 434.442
• InChiKey: NINXKFNRLWVILT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-氯-6-三氟甲基烟酸 、 4-三氟甲氧基苯基异氰酸酯 以 二氯甲烷 为溶剂， 反应 1.0h， 以82%的产率得到1-(4-(4,6-dimethylpyrimidin-2-ylthio)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
  参考文献：
  名称：

  Synthesis and antitumor activity of ureas containing pyrimidinyl group

  摘要：

  A novel series of ureas containing pyrimidinyl group were designed and synthesized. Some of the prepared compounds showed potential cytotoxicity against several human cancer cell lines. From the structure-activity relationships we may conclude that introduction of a sulfide bridge between phenyl and pyrimidinyl rings would be critical for their biological activities. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.026

文献信息

• Synthesis and antitumor activity of ureas containing pyrimidinyl group
  作者：Chuanfei Jin、Yong-Ju Liang、Hongwu He、Liwu Fu

  DOI：10.1016/j.ejmech.2010.11.026

  日期：2011.1

  A novel series of ureas containing pyrimidinyl group were designed and synthesized. Some of the prepared compounds showed potential cytotoxicity against several human cancer cell lines. From the structure-activity relationships we may conclude that introduction of a sulfide bridge between phenyl and pyrimidinyl rings would be critical for their biological activities. (C) 2010 Elsevier Masson SAS. All rights reserved.