N,N'-bis[2-[(C-hydroxy-N-naphthalen-1-ylcarbonimidoyl)amino]phenyl]carbamimidic acid | 1257160-13-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N,N'-bis[2-[(C-hydroxy-N-naphthalen-1-ylcarbonimidoyl)amino]phenyl]carbamimidic acid
• CAS: 1257160-13-6
• 化学式: C₃₅H₂₈N₆O₃
• 分子量: 580.646
• InChiKey: LBULLOMRQBCAEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  134
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3-bis(2-aminophenyl)urea 、 1-Alapha-萘异氰酸酯 以 四氢呋喃 为溶剂， 反应 2.0h， 以78%的产率得到N,N'-bis[2-[(C-hydroxy-N-naphthalen-1-ylcarbonimidoyl)amino]phenyl]carbamimidic acid
  参考文献：
  名称：

  Tetraureas versus Triureas in Sulfate Binding

  摘要：

  By mimicking the scaffolds of oligopyridine-based ligands, triurea and tetraurea receptors have been developed for sulfate binding. The triureas (L-1, L-2) show stronger binding of sulfate than tetraureas (L-3, L-4) in DMSO because of their better conformational complementarity with sulfate, while the tetraureas display better "water tolerance" benefiting from the chelate effect and hydrophobic effect.

  DOI：

  10.1021/ol102221x

文献信息

• Tetraureas versus Triureas in Sulfate Binding
  作者：Chuandong Jia、Biao Wu、Shaoguang Li、Xiaojuan Huang、Xiao-Juan Yang

  DOI：10.1021/ol102221x

  日期：2010.12.17

  By mimicking the scaffolds of oligopyridine-based ligands, triurea and tetraurea receptors have been developed for sulfate binding. The triureas (L-1, L-2) show stronger binding of sulfate than tetraureas (L-3, L-4) in DMSO because of their better conformational complementarity with sulfate, while the tetraureas display better "water tolerance" benefiting from the chelate effect and hydrophobic effect.