摘要
在镍(Ⅱ)离子存在的条件下,利用模板法以1,2⁃双(2⁃甲氧基⁃6⁃甲酰基苯氧基)乙烷与乙二胺按照1∶1的化学计量比[2+2]合成,得到N_(4)O_(2)型的二十八元大环席夫碱镍(Ⅱ)配合物[Ni(C_(40)H_(44)N_(4)O_(8))]Cl_(2)·4CH_(3)OH。通过元素分析、红外光谱、粉末X射线衍射、单晶X射线衍射和密度泛函理论量化计算对镍(Ⅱ)配合物进行了分析和表征。结构分析表明,Ni(Ⅱ)离子与来自C=N基团的4个N原子和来自醚基团的2个O原子进行配位,形成扭曲的八面体几何构型。脲酶抑制活性及分子对接模拟研究表明,该镍(Ⅱ)配合物能较好地抑制脲酶活性。
A Ni(Ⅱ)complex,[Ni(C_(40)H_(44)N_(4)O_(8))]Cl_(2)·4CH_(3)OH,with a 28⁃membered macrocyclic Schiff base ligand of an N_(4)O_(2)donor set has been prepared by the[2+2]reaction of 1,2⁃bis(2⁃methoxy⁃6⁃formylphenoxy)ethane with ethylene⁃diamine in a 1∶1 stoichiometric ratio in the presence of Ni(Ⅱ)ion employing the template strategy.The complex was characterized by elemental analysis,infrared spectroscopy,powder X⁃ray diffraction,single⁃crystal X⁃ray diffrac⁃tion,and density functional theory quantification calculations.The structural analysis demonstrates that Ni(Ⅱ)ion is six⁃coordinate by four N atoms from C=N groups,two O atoms from ether groups,forming a distorted octahedral geometry.Urease inhibitory activity and molecular docking simulation studies show that the Ni(Ⅱ)complex proved to be a good candidate for the inhibition of jack bean urease.CCDC:1052326.
作者
王虎
娄情丽
郝春芝
朱文香
杨燕
张炜
牟丹
张霞
印朝闯
WANG Hu;LOU Qing-Li;HAO Chun-Zhi;ZHU Wen-Xiang;YANG Yan;ZHANG Wei;MOU Dan;ZHANG Xia;YIN Chao-Chuang(School of Chemistry and Materials Engineering,Liupanshui Normal University,Liupanshui,Guizhou 553004,China;Key Laboratory of Marine Chemistry Theory and Technology,Ministry of Education,College of Chemistry and Chemical Engineering,Ocean University of China,Qingdao,Shandong 266000,China)
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
2022年第4期765-773,共9页
Chinese Journal of Inorganic Chemistry
基金
贵州省科技厅基础研究计划项目(黔科合基础⁃ZK[2021]一般063)
贵州省科技厅青年人才成长项目(黔教合KY字[2022]043号,黔教合KY字[2022]044号)
六盘水科技创新平台项目(No.52020⁃2021⁃GK⁃04)
六盘水师范学院高层次人才项目(No.LPSSYKYJJ202002,LPSSYKYJJ202102)
大学生创新创业计划项目(No.202110977033)资助。
