N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
• 英文别名: 1-N'-[3-(3-amino-1H-indazol-4-yl)phenyl]-1-N-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
• 化学式: C₂₄H₁₉Cl₂N₅O₂
• 分子量: 480.353
• InChiKey: GXDCPISJCLFDGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  113
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基-4-碘-吲唑 在 四(三苯基膦)钯 、 potassium carbonate 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 32.5h， 生成 N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
  参考文献：
  名称：

  Discovery of novel anti-angiogenesis agents. Part 6: Multi-targeted RTK inhibitors

  摘要：

  Angiogenesis is modulated by a multitude of pro-angiogenic factors including VEGFR-2, Tie-2, and EphB4. Moreover, their crosstalk also had been well elaborated. We have identified several diarylureabased VEGFR-2 inhibitors as potential anti-angiogenesis agents. As a continuation to our previous research, two series of diaryl malonamide and diaryl thiourea derivatives have been developed as multiplex VEGFR-2/Tie-2/EphB4 inhibitors. Interestingly, the biological evaluation indicated that several compounds bearing trifluoromethyl or trifluoromethoxyl exhibited promising multiplex inhibition against angiogenesis-related VEGFR-2, Tie-2, and EphB4. The representative compound (18a) displayed both potent multi-targeted RTK inhibition and considerable antiproliferative activities against human umbilical vein endothelial cells (EA.hy926). These results will contribute to the discovery of novel mutitargeted anti-angiogenesis agents. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2016.12.059