1,4,8,12,15,19-hexaazacyclo-docosane-2,3,13,14 tetraone | 1265324-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1,4,8,12,15,19-hexaazacyclo-docosane-2,3,13,14 tetraone
• CAS: 1265324-57-9
• 化学式: C₁₆H₃₀N₆O₄
• 分子量: 370.452
• InChiKey: JISCVEZPSNHFPI-UHFFFAOYSA-N

反应信息

• 作为反应物：
  描述：

  copper(II) bromide hydrate 、 1,4,8,12,15,19-hexaazacyclo-docosane-2,3,13,14 tetraone 以 乙醇 为溶剂， 以90%的产率得到CuBr(1,4,8,12,15,19-hexaazacyclo-docosane-2,3,13,14-tetraone)Br*3H2O
  参考文献：
  名称：

  Structural studies and anticancer activity of a novel (N6O4) macrocyclic ligand and its Cu(II) complexes

  摘要：

  A novel (N6O4) macrocyclic ligand (L) and its Cu(II) complexes have been prepared and characterized by elemental analysis, spectral, thermal (TG/DTG), magnetic, and conductivity measurements. Quantum chemical calculations have also been carried out at B3LYP/6-31+G(d,p) to study the structure of the ligand and one of its complexes. The results show a novel macrocyclic ligand with potential amide oxygen atom, amide and amine nitrogen atoms available for coordination. Distorted square pyramidal ([Cu(L)Cl]Cl center dot 2.5H(2)O (1), [Cu(L)NO3]NO3 center dot 3.5H(2)O (2), and [Cu(L)Br]Br center dot 3H(2)O (4) and octahedral ([Cu(L)(OAc)(2)]center dot 5H(2)O (3)) geometries were proposed. The EPR data of 1, 2, and 4 indicate d(1) x(2) (-y2) ground state of Cu(II) ion with a considerable exchange interaction. The measured cytotoxicity for L and its complexes (1, 2) against three tumor cell lines showed that coordination improves the antitumor activity of the ligand; IC50 for breast cancer cells are approximate to 8.5, 3, and 4 mu g/mL for L and complexes (1) and (2), respectively. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.10.021