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为发现新的昆虫生长调节剂,经单取代苯基呋喃甲酰氯与取代苯甲酰肼反应得到22个未见文献报道的含呋喃环双酰肼类化合物,其结构均通过了IR,1HNMR和元素分析确认.初步生测结果表明,所有目标化合物对豆蚜(Aphisfabae)均有活性,部分目标化合物表现出较好或中等的杀幼虫活性.化合物Ia,Ib和Ic在药剂浓度为0.05%时,对豆蚜的死亡抑制率分别为81.8%,58.4%和52.2%,其中化合物Ia对若蚜的蜕皮和成蚜产雌能力具有一定的抑制作用.而大部分目标化合物在药剂浓度为0.1%,0.05%和0.001%时,对3龄粘虫(Mythimna separate)、棉红蜘蛛(Tetranchus urticae)和尖音淡色库蚊(Culex pipiens pallens)幼虫杀虫活性不明显.采用比较分子力场分析(CoMFA)方法,对22个化合物的杀蚜虫活性进行三维定量构效关系(3D-QSAR)研究.在CoMFA研究中,考察了不同力场和电荷下网格点步长对统计结果的影响.建立了三维定量构效关系CoMFA模型(q2=0.518,r2=0.936).CoMFA模型的立体场、静电场三维等值线图不仅直观地解释了结构与活性的关系,而且为后续优化该系列化合物提供了理论依据.
In order to find a new insect growth regulator, 22 novel furan ring-containing dihydrazide compounds were obtained by the reaction of mono-substituted phenyl furanyl chloride and substituted benzoic acid hydrazide. The structures of the compounds were confirmed by IR, 1HNMR and Elemental analysis confirmed that the preliminary bioassay results showed that all of the target compounds were active against Aphis fabae and some of the target compounds showed good or moderate larvicidal activity.Compounds Ia, Ib and Ic at the concentration of 0.05% , And the inhibition rates on the death of soybean aphid were 81.8%, 58.4% and 52.2%, respectively, of which compound Ia inhibited the molting and ovulation of the female aphid, while most of the target compounds exhibited a significant inhibitory effect , 0.05% and 0.001% respectively, insecticidal activities against Mythimna separata, Tetranchus urticae and Culex pipiens pallens larvae were not significant.Compared with the results of comparative molecular force field analysis CoMFA method was used to study the 3D-QSAR of aphid-killing activity of 22 compounds.In the CoMFA study, the effect of grid-point step size under different force fields and charges on the statistical results was investigated. Three-dimensional quantitative structure-activity relationship CoMFA model (q2 = 0.518, r2 = 0.936). The three-dimensional contour maps of the electrostatic field and the electrostatic field of the CoMFA model not only intuitively explain the relationship between structure and activity, but also provide a theoretical basis for subsequent optimization of the series of compounds.