N-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-3-methylbenzamide | 333325-26-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-3-methylbenzamide
• 英文别名: N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide
• CAS: 333325-26-1
• 化学式: C₁₇H₁₄FN₃O
• 分子量: 295.316
• InChiKey: BEOZXJOMZRZFHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(4-氟苯基)-1H-吡唑-5-胺 、 间甲基苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.08h， 以48%的产率得到N-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-3-methylbenzamide
  参考文献：
  名称：

  Identification of novel FLT3 kinase inhibitors

  摘要：

  FLT3 and PDGFR tyrosine kinases are important targets for therapy of different types of leukemia. Several FLT3/PDGFR inhibitors are currently under clinical investigation for combination with standard therapy for treatment of acute myeloid leukemia (AML), however these agents only induce partial remission and development of resistance has been reported. In this work we describe the identification of potent and novel dual FLT3/PDGFR inhibitors that resulted from our efforts to screen a library of 25,607 small molecules against the FLT3 dependent cell line MOLM-13 and the PDGFR dependent cell line EOL-1. This effort led to the identification of five compounds that were confirmed to be active on additional FLT3 dependent cell lines (cellular EC50 values between 35 and 700 nM), while having no significant effect on 24 other tyrosine kinases. (c) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.03.024