5-(4-((4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)methyl)phenyl)-2-methoxypyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-(4-((4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)methyl)phenyl)-2-methoxypyridine
• 英文别名: 5-[4-[[4-(2-Fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine；5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine
• 化学式: C₂₁H₁₇FN₄O
• 分子量: 360.391
• InChiKey: AOXMXKZZJGQNES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  52.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(叠氮甲基)-4-溴苯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 copper(ll) sulfate pentahydrate 、 potassium carbonate 、 sodium ascorbate 作用下， 以 1,4-二氧六环 、 乙醇 、 水 为溶剂， 生成 5-(4-((4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)methyl)phenyl)-2-methoxypyridine
  参考文献：
  名称：

  Discovery of novel anti-angiogenesis agents. Part 10: Multi-target inhibitors of VEGFR-2, Tie-2 and EphB4 incorporated with 1,2,3-triazol

  摘要：

  VEGFR-2, Tie-2, and EphB4 are essential for both angiogenesis and tumorigenesis. Herein, we developed a series of pyridines incorporated with 1,2,3-triazole as multi-target inhibitors based on the crystal structure alignment of the kinase domain of angiogenic RTKs. Biological results indicated that these multi-target inhibitors displayed considerable potential as novel anti-angiogenic agents. Among them, compound BD7 exhibited the most potent inhibition against the three RTKs simultaneously, and good activity on inhibiting viability of human umbilical endothelial cells. Therefore, 1,2,3-triazole could serve as a promising DFG binding group for multi-target inhibitors of VEGFR-2, Tie-2 and EphB4 bearing pyridine as hinge binding group. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.11.042