N-(2-aminoethyl)-N'-[4-(3H-benzimidazol-5-yl)-phenyl]-2-morpholin-4-yl-[1,3,5]triazine-4,6-diamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: N-(2-aminoethyl)-N'-[4-(3H-benzimidazol-5-yl)-phenyl]-2-morpholin-4-yl-[1,3,5]triazine-4,6-diamine
• 英文别名: 4-N-(2-aminoethyl)-2-N-[4-(1H-benzimidazol-2-yl)phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
• 化学式: C₂₂H₂₅N₉O
• 分子量: 431.5
• InChiKey: FGTTVXVSRWEJAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  130
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,4-二氯-6-吗啉基-1,3,5-三嗪 在 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 24.0h， 生成 N-(2-aminoethyl)-N'-[4-(3H-benzimidazol-5-yl)-phenyl]-2-morpholin-4-yl-[1,3,5]triazine-4,6-diamine
  参考文献：
  名称：

  Synthesis and in vitro evaluation of novel triazine analogues as anticancer agents and their interaction studies with bovine serum albumin

  摘要：

  A novel series of triazine-benzimidazole analogs has been designed and synthesized for their in vitro anticancer activities. Four compounds (6, 16, 17 and 20) were identified as highly potent anticancer agents against 60 human cancer cell lines with GI(50) in the nanomolar range. To improve the drug applications toward cancer cells, there is a need to couple these compounds to some carrier macromolecules. Following this approach, the interaction between triazine-benzimidazole analogues and bovine serum albumin (BSA) has been investigated with UV-Visible and fluorescence spectroscopic methods under physiological conditions. The observed fluorescence quenching indicates that these compounds could efficiently bind with BSA and be transported to the target site. (C) 2016 Elsevier Masson SAS. All rights 'reserved.

  DOI：

  10.1016/j.ejmech.2016.03.088

文献信息

• Synthesis and in vitro evaluation of novel triazine analogues as anticancer agents and their interaction studies with bovine serum albumin
  作者：Prinka Singla、Vijay Luxami、Kamaldeep Paul

  DOI：10.1016/j.ejmech.2016.03.088

  日期：2016.7

  A novel series of triazine-benzimidazole analogs has been designed and synthesized for their in vitro anticancer activities. Four compounds (6, 16, 17 and 20) were identified as highly potent anticancer agents against 60 human cancer cell lines with GI(50) in the nanomolar range. To improve the drug applications toward cancer cells, there is a need to couple these compounds to some carrier macromolecules. Following this approach, the interaction between triazine-benzimidazole analogues and bovine serum albumin (BSA) has been investigated with UV-Visible and fluorescence spectroscopic methods under physiological conditions. The observed fluorescence quenching indicates that these compounds could efficiently bind with BSA and be transported to the target site. (C) 2016 Elsevier Masson SAS. All rights 'reserved.