1-[3-Chloro-5-(trifluoromethyl)phenyl]-3-[3-(1,4-dihydroimidazo[4,5-c]pyrazol-5-yl)-4-methylphenyl]urea | 1236202-56-4

• 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-[3-Chloro-5-(trifluoromethyl)phenyl]-3-[3-(1,4-dihydroimidazo[4,5-c]pyrazol-5-yl)-4-methylphenyl]urea
• 英文别名: 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-[3-(1,4-dihydroimidazo[4,5-c]pyrazol-5-yl)-4-methylphenyl]urea
• CAS: 1236202-56-4
• 化学式: C₁₉H₁₄ClF₃N₆O
• 分子量: 434.808
• InChiKey: XGDUYYAUIDSJJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  98.5
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  瑞格非尼杂质62 、 C₁₁H₁₁N₅ 以 四氢呋喃 为溶剂， 生成 1-[3-Chloro-5-(trifluoromethyl)phenyl]-3-[3-(1,4-dihydroimidazo[4,5-c]pyrazol-5-yl)-4-methylphenyl]urea
  参考文献：
  名称：

  1,4-Dihydropyrazolo[4,3-d]imidazole phenyl derivatives: A novel type II Raf kinase inhibitors

  摘要：

  The synthesis of a novel series of 1,4-dihydropyrazolo[4,3-d]imidazole phenyl derivatives 1a-b, 2a-v and their antiproliferative activities against A375P and WM3629 human melanoma cell line were described. Most compounds showed competitive antiproliferative activities to sorafenib, the reference standard. Among them, pyrazoloimidazole phenyl urea compounds 2a, 2d, 2g, 2i, 2t exhibited potent activities on WM3629 cell lines (IC50 = 0.56-0.86 mu M). Especially, 2t was found to be a potent and selective C-Raf inhibitor, showing a possibility as melanoma therapeutics. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.039