Synthesis, Biological Activity and 3D-QSAR Study of Novel Pyrrolidine-2,4-dione Derivatives Containing N-Substituted Phenylhydrazine Moiety  

作　　者：ZHANG Lizhi REN Zhengjiao LU Aimin ZHAO Zheng XU Wenqin BAO Qianqian DING Weijie YANG Chunlong 

机构地区：[1]Jiangsu Key Laboratory of Pesticide Science [2]Key Laboratory of Monitoring and Management of Crop Diseases and Pest lnsects, Ministry of Agriculture [3]College of Science, Nanjing Agricultural University, Nanjing 210095, P R. China

出　　处：《Chemical Research in Chinese Universities》2015年第2期228-234,共7页高等学校化学研究（英文版）

基　　金：Supported by the National High Technology Research and Development Program of China（No.2011AA10A206）, the National Key Technologies R＆D Program of China（No.2011BAE06B04）, the Science ＆ Technology Pillar Program of Jiangsu Province, China（No.BE2012371）, the National Natural Science Foundation of China（No.31171889） and the Fundamental Research Funds for the Central Universities of China（No.KYZ201223）.

摘　　要：Twenty-seven novel pyrrolidine-2,4-dione derivatives containing N-substituted phenylhydrazine moiety were synthesized. Their structures were confirmed by IH NMR, 13C NMR and MS. The half effective concentration （ECs0） values of the title compounds against the phytopathogenic fungi Rhizoctonia cerealis were evaluated. Com- pounds 61 and 6q displayed good bioactivity with EC50 values of 1.626 and 2.043 μg/mL, respectively. The 3D quantitative structure activity relationship（3D-QSAR） model of CoMFA was established with reliable cross-validated correlation coefficient q2 value of 0.585 and Noncross-validated correlation coefficient r2 value of 0.971. This model provided a tool for guiding further design and synthesis of novel pyrrolidine-2,4-dione derivatives with high fungicidal activity.Twenty-seven novel pyrrolidine-2,4-dione derivatives containing N-substituted phenylhydrazine moiety were synthesized. Their structures were confirmed by IH NMR, 13C NMR and MS. The half effective concentration （ECs0） values of the title compounds against the phytopathogenic fungi Rhizoctonia cerealis were evaluated. Com- pounds 61 and 6q displayed good bioactivity with EC50 values of 1.626 and 2.043 μg/mL, respectively. The 3D quantitative structure activity relationship（3D-QSAR） model of CoMFA was established with reliable cross-validated correlation coefficient q2 value of 0.585 and Noncross-validated correlation coefficient r2 value of 0.971. This model provided a tool for guiding further design and synthesis of novel pyrrolidine-2,4-dione derivatives with high fungicidal activity.

关 键 词：Pyrrolidine-2 4-dione N-Substituted phenylhydrazine Antifungal activity 3D quantitative structure activity relationship（3 D-QSAR） 

分 类 号：TQ455.47[化学工程—农药化工] S482.39[农业科学—农药学]