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设计合成了六个新型双环新烟碱类似物,通过1H NMR,13C NMR,高分辨质谱和单晶结构对目标化合物的结构进行了表征.初步的生物活性测试表明:在500 mg?L-1浓度下,目标化合物6a,6c~6f对豆蚜(Aphis craccivora)具有很好的杀虫活性.通过分子对接比较并解释了目标化合物6a和吡虫啉的活性和作用模式的差异,其结果表明目标化合物6a的吡啶环和受体残基色氨酸147的芳香环侧链具有?-?堆积作用,与吡虫啉的作用方式存在一定差异.
Six novel bicyclic neonicotinoid analogues were designed and synthesized.The structures of the target compounds were characterized by 1H NMR, 13C NMR, high resolution mass spectrometry and single crystal structure.The preliminary bioassay showed that at 500 mg? L-1 The target compounds 6a, 6c-6f had good insecticidal activities against Aphis craccivora.The differences in the activity and mode of action of target compounds 6a and imidacloprid were compared and explained by molecular docking, and the results showed that the target compounds The aromatic ring side chain of the pyridine ring and the acceptor tryptophan 147 of the 6a has a? -? Stacking effect, which is different from the mode of action of imidacloprid.