1-(thiazol-2-yl)-3-(2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl)-urea | 301320-33-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(thiazol-2-yl)-3-(2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl)-urea
• 英文别名: 1-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
• CAS: 301320-33-2
• 化学式: C₈H₇F₆N₃OS
• 分子量: 307.219
• InChiKey: XDVSFEDQGJALFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-氨基噻唑 、 (1,1,1,3,3,3-hexafluoro-2-methylprop-2-yl)isocyanate 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 4.0h， 以97%的产率得到1-(thiazol-2-yl)-3-(2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl)-urea
  参考文献：
  名称：

  Synthesis and anticancer activity of N-bis(trifluoromethyl)alkyl-N′-thiazolyl and N-bis(trifluoromethyl)alkyl-N′-benzothiazolyl ureas

  摘要：

  A number of N-bis(trifluoromethyl)alkyl-N'-thiazolyl and -benzothiazolyl ureas have been synthesized and evaluated for their in vitro antiproliferative activities against the human cancer cell lines at the National Cancer Institute (NCI, USA). The activity was shown for compounds 8a,c and 9a-c. The most sensitive cell lines relative to the tested compounds are: 8c PC-3 (prostate cancer, log GI(50) -7.10), 9c SNB-75 (CNS cancer, log GI(50) -5.84), 9b UO-31 (renal cancer, log GI(50) -5.66), and SR (leukemia, log GI(50) -5.44) human cancer cells. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.08.007

文献信息

• Synthesis and anticancer activity of N-bis(trifluoromethyl)alkyl-N′-thiazolyl and N-bis(trifluoromethyl)alkyl-N′-benzothiazolyl ureas
  作者：Elena L. Luzina、Anatoliy V. Popov

  DOI：10.1016/j.ejmech.2009.08.007

  日期：2009.12

  A number of N-bis(trifluoromethyl)alkyl-N'-thiazolyl and -benzothiazolyl ureas have been synthesized and evaluated for their in vitro antiproliferative activities against the human cancer cell lines at the National Cancer Institute (NCI, USA). The activity was shown for compounds 8a,c and 9a-c. The most sensitive cell lines relative to the tested compounds are: 8c PC-3 (prostate cancer, log GI(50) -7.10), 9c SNB-75 (CNS cancer, log GI(50) -5.84), 9b UO-31 (renal cancer, log GI(50) -5.66), and SR (leukemia, log GI(50) -5.44) human cancer cells. (C) 2009 Elsevier Masson SAS. All rights reserved.