基于双席夫碱配体的两个锰(Ⅲ)配合物的合成、晶体结构和抑制脲酶活性

摘要

制备了一个双席夫碱N,N'-双(3,5-二氟亚水杨基)-1,3-二氨基丙烷(H2L).利用H2L、醋酸锰和硫氰酸铵或者叠氮化钠在甲醇中反应分别制得了配合物[MnL(NCS)(0H2)](1)和[MnL(μ13-N3)]n(2).通过元素分析、红外光谱、核磁共振氢谱对H2L和其配合物进行了表征,用单晶X射线衍射测定了配合物的结构.席夫碱配体利用其亚胺基氮原子和酚羟基氧原子与Mn进行配位.硫氰酸根配体利用其氮原子配位,而叠氮根配体利用两端的氮原子以桥联的方式进行配位.在每个配合物中,Mn原子都采取八面体配位构型.测试了H2L和2个配合物对刀豆脲酶的抑制活性.在浓度为1 00 μmol·L-1时,配合物1对脲酶的抑制率为(52.0±3.1)％,其IC50值为(81.0±3.7)μmol·L-1,而配合物2却没有活性.还利用分子对接技术研究了配合物1与脲酶的作用方式.%A bis-Schiff base N,N'-bis(3,5-difluorosalicylidene)-1,3-diaminopropane) (H2L) was prepared.Reaction of H2L and manganese acetate with ammonium thiocyanate or sodium azide in methanol gave complexes [MnL(NCS)(OH2)] (1) and [MnL(μ1,3-N3)]n (2),respectively.H2L and the complexes were characterized by elemental analysis,IR spectra,1H NMR spectra,and the crystal structures of the complexes were analyzed by single crystal X-ray diffraction.The Schiff base ligand coordinates to the Mn atom through the imino nitrogen and phenolate oxygen.The thiocyanate ligand coordinates to the Mn atom through the nitrogen atom,and the azide ligand coordinates to the Mn atom,with a bridging mode,through two terminal nitrogen atoms.In both complexes,the Mn atoms adopt octahedral coordination.The Schiff base and the complexes were tested for their Jack bean urease inhibitory activities.For complex 1,the inhibition rate at concentration of 100 μmol ·L-1 on the urease is (52.0±3.1)％,and the IC5o value is (81.0±3.7) μmol· L-1.While for complex 2,it has no activity against the urease.Molecular docking study of complex 1 was performed to study the inhibition.