2,4,6-tris[4-{(E)-[2'-(4-fluorophenylcarbonyl)hydrazinylidene]methyl}phenoxy]-1,3,5-triazine | 1363379-34-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,4,6-tris[4-{(E)-[2'-(4-fluorophenylcarbonyl)hydrazinylidene]methyl}phenoxy]-1,3,5-triazine
• CAS: 1363379-34-3
• 化学式: C₄₅H₃₀F₃N₉O₆
• 分子量: 849.785
• InChiKey: RBGAYTSOGIOQJO-XIOYSRSJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.96
• 重原子数：
  63.0
• 可旋转键数：
  15.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  190.74
• 氢给体数：
  3.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  对氟苯甲酸甲酯 在 一水合肼 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2,4,6-tris[4-{(E)-[2'-(4-fluorophenylcarbonyl)hydrazinylidene]methyl}phenoxy]-1,3,5-triazine
  参考文献：
  名称：

  Synthesis, characterization and anticancer evaluation of novel tri-arm star shaped 1,3,5-triazine hydrazones

  摘要：

  A series of novel trisubstituted triazine hydrazones [N3C3(-OC6H4-p-CH=N-NH-C(O)-C6H4-p-X)(3)] (X = H, Br, Cl, F, OH, OCH3, CH3, NO2, NH2) were prepared by a three-fold condensation reaction of 2,4,6-tris (4-formylphenoxy)-1,3,5-triazine with p-substituted benzoic acid hydrazides [NH2-NH-C(O)-C6H4-p-X] with excellent yields. The structures were confirmed by elemental analysis, FT-IR, H-1, C-13, 2D-HSQC NMR and mass spectrometry (MALDI-TOF). These derivatives bearing hydrolysable hydrazone linkages were evaluated for their in vitro antiproliferative activity against the human liver carcinoma cell line (HepG2) and human cervix carcinoma cell line (HeLa). (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.12.023