<i>N</i>'-(2-羟基-5-甲氧基苯甲基)-4-二甲氨基苯甲酰肼及其氧钒(Ⅴ)配合物:合成、晶体结构和脲酶抑制活性

引用本文: 叶玉婷, 牛芳, 孙迎, 曲丹, 赵新璐, 王佳, 献冬梅, Hauser Jürg, 由忠录. N'-(2-羟基-5-甲氧基苯甲基)-4-二甲氨基苯甲酰肼及其氧钒(Ⅴ)配合物:合成、晶体结构和脲酶抑制活性[J]. 无机化学学报, 2015, (5): 1019-1026. doi: 10.11862/CJIC.2015.135 shu

Citation: YE Yu-Ting, NIU Fang, SUN Ying, QU Dan, ZHAO Xin-Lu, WANG Jia, XIAN Dong-Mei, Hauser Jürg, YOU Zhong-Lu. N'-(2-Hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide and Its Oxovanadium(Ⅴ) Complex: Syntheses, Crystal Structures, and Urease Inhibitory Activity[J]. Chinese Journal of Inorganic Chemistry, 2015, (5): 1019-1026. doi: 10.11862/CJIC.2015.135 shu

N'-(2-羟基-5-甲氧基苯甲基)-4-二甲氨基苯甲酰肼及其氧钒(Ⅴ)配合物:合成、晶体结构和脲酶抑制活性

叶玉婷 ^1, ,
牛芳 ^1, ,
孙迎 ^1, ,
曲丹 ^1, ,
赵新璐 ^1, ,
王佳 ^1, ,
献冬梅 ^1, ,
Hauser Jürg ^3, ,
由忠录 ^{1,2,
,}

1.
1 辽宁师范大学化学化工学院, 大连 116029;
2.
2 南京大学配位化学国家重点实验室, 南京 210093;
3.
3 伯尔尼大学化学和生物化学系, 伯尔尼 3012

通讯作者: 由忠录 youzhonglu@126.com

基金项目:
辽宁省高校优秀青年人才支持计划(No.LR2014032)资助项目。 (No.LR2014032)

摘要: 制备了一个苯甲酰腙化合物N'-(2-羟基-5-甲氧基苯甲基)-4-二甲氨基苯甲酰肼(H₂L)。利用H₂L、乙酰氧肟酸(HAHA)和VO(acac)₂在甲醇中反应得到了配合物[VOL(AHA)]。通过元素分析、红外和紫外光谱,以及单晶X-射线衍射对H₂L和其配合物进行了表征。苯甲酰腙配体作为二价阴离子,利用其酚羟基氧原子、亚胺基氮原子、以及烯醇氧原子与V原子进行配位。乙酰氧肟酸配体利用其羰基氧原子和去质子化的羟基氧原子进行配位。配合物中的V原子为八面体配位构型。测试了H₂L、HAHA和钒配合物的脲酶抑制活性。在浓度为100μmol·L^-1时,钒配合物对幽门螺旋杆菌脲酶的抑制率为63%,其IC₅₀值为45μmol·L^-1。还利用分子对接技术研究了配合物分子与脲酶的作用方式。

关键词:

苯甲酰腙;乙酰氧肟酸;氧钒配合物;晶体结构;脲酶抑制剂

English

N'-(2-Hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide and Its Oxovanadium(Ⅴ) Complex: Syntheses, Crystal Structures, and Urease Inhibitory Activity

1.
1 Department of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, Liaoning 116029, China;
2.
2 State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing 210093, China;
3.
3 Departement of Chemistry and Biochemistry, University of Bern, Bern 3012, Switzerland

Corresponding author: 由忠录 youzhonglu@126.com

Received Date: 03 December 2014
Fund Project:
辽宁省高校优秀青年人才支持计划(No.LR2014032)资助项目。

Abstract: Abenzohydrazone compound N'-(2-hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide (H₂L) was prepared. Reaction of H₂L and acetylhydroxamic acid (HAHA) with VO(acac)₂ in methanol gave complex [VOL(AHA)]. Both H₂L and the oxovanadium complex were characterized by elemental analysis, IR and UV-Vis spectra, and single crystal X-ray diffraction. The benzohydrazone ligand, in its dianionic form, coordinates to Vatom through the phenolate oxygen, imino nitrogen and enolate oxygen. The acetohydroxamic acid coordintes to Vatom through the carbonyl oxygen and deprotonated hydroxyl oxygen. The Vatom is in octahedral coordination. H₂L, HAHAand the oxovanadium(Ⅴ) complex were tested for their urease inhibitory activities. The inhibition rate at concentration of 100 μmol·L^-1 on Helicobacter pylori urease is 63% for the oxovanadium complex. The IC₅₀ value for the complex is 45 μmol·L^-1. Molecular docking study was performed to study the inhibition.

Key words:

benzohydrazone;oxovanadium complex;crystal structure;urease inhibition

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N'-(2-羟基-5-甲氧基苯甲基)-4-二甲氨基苯甲酰肼及其氧钒(Ⅴ)配合物:合成、晶体结构和脲酶抑制活性

通讯作者: 由忠录 youzhonglu@126.com

English

N'-(2-Hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide and Its Oxovanadium(Ⅴ) Complex: Syntheses, Crystal Structures, and Urease Inhibitory Activity

Corresponding author: 由忠录 youzhonglu@126.com

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N'-(2-羟基-5-甲氧基苯甲基)-4-二甲氨基苯甲酰肼及其氧钒(Ⅴ)配合物:合成、晶体结构和脲酶抑制活性

通讯作者: 由忠录 youzhonglu@126.com

English

N'-(2-Hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide and Its Oxovanadium(Ⅴ) Complex: Syntheses, Crystal Structures, and Urease Inhibitory Activity

Corresponding author: 由忠录 youzhonglu@126.com

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CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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