2,2'-bis(1H,3H,5H)pyrimidine-4,6-dione-1,2-diiminoethane | 592478-58-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,2'-bis(1H,3H,5H)pyrimidine-4,6-dione-1,2-diiminoethane
• 英文别名: 2-[2-[(4,6-dioxo-1H-pyrimidin-2-yl)amino]ethylamino]-1H-pyrimidine-4,6-dione
• CAS: 592478-58-5
• 化学式: C₁₀H₁₂N₆O₄
• 分子量: 280.243
• InChiKey: XLWUKYYIDOJSCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  141
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 2,2'-bis(1H,3H,5H)pyrimidine-4,6-dione-1,2-diiminoethane 以 盐酸 、 乙醇 为溶剂， 以50%的产率得到2,2'-bis(1H,3H,5H)pyrimidine-4,6-dione-1,2-diiminoethanocopper(II)
  参考文献：
  名称：

  Synthesis and Characterization of the Copper(II) Complex with 2,2‐bis(1H,3H,5H)Pyrimidine‐4,6‐dione‐1,2‐diiminoethane: Fluorescence Quenching Studies in Proteins

  摘要：

  The new ligand 2,2-bis(1H,3H,5H)pyrimidine-4,6-dione-1,2-diiminoethane (H2SB) has been synthesized and characterized by elemental analyses, IR, NMR spectroscopy. Its copper complex has also been prepared and charaterized by. various physico-chemical methods. The reactivity of the 2,2-bis (1H,3H,5H)pyrimidine-4,6-dione- 1,2-diiminoethanecopper(II) complex towards protein has been studied spectrophotometrically. Affinity constants and binding capacity constants of protein with 2,2-bis(I H,3H,5H)pyrimidine-4,6-dione- 1,2-diiminoethanecopper(II) [Cu(SB)] (SB = doubly deprotonated Schiff base) have been calculated.

  DOI：

  10.1081/sim-120020002