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Chin. J. Org. Chem. ›› 2011, Vol. 31 ›› Issue (06): 891-896. Previous Articles     Next Articles

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5-嘧啶基-1,2,4-噁二唑衍生物的合成及生物活性研究

黄统辉，涂海洋*，刘名，侯昌健，张爱东*   

  1. (华中师范大学农药与化学生物学教育部重点实验室 武汉 430079)
  • 收稿日期:2010-10-25 修回日期:2010-12-13 发布日期:2011-01-27
  • 通讯作者: 张爱东 E-mail:adzhang@mail.ccnu.edu.cn

Synthesis and Biological Activity of 5-Pyrimidinyl-1,2,4-oxadiazole Derivatives

HUANG Tong-Hui, TU Hai-Yang, LIU Ming, HOU Chang-Jian, ZHANG Ai-Dong   

  1. (Key Laboratory of Pesticide and Chemical Biology of Ministry of Education, College of Chemistry, Cen-tral China Normal University, Wuhan 430079)
  • Received:2010-10-25 Revised:2010-12-13 Published:2011-01-27
  • Contact: Aidong ZHANG E-mail:adzhang@mail.ccnu.edu.cn

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A series of 5-pyrimidinyl-1,2,4-oxadiazole derivatives were synthesized by the reaction of substituted benzamidoxime with pyrimidinecarbonyl chloride, and their structures were characterized. As a representative, the structure of compound 5a was confirmed with X-ray crystallography. Molecular docking was used to investigate the binding conformations of several compounds to the active site of yeast ACCase and predict the bioactivity, and the results revealed that the binding modes are similar to that as diclofop in complex with ACCase. Preliminary bioassay showed that most of title compounds have good herbicidal activity.

Key words: pyrimidinyl-1,2,4-oxadiazole, synthesis, crystal structure, herbicidal activity, molecular docking