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Synthesis, Bioactivities and Structure Activity Relationship of N-4-Methyl-1,2,3-thiadiazole-5-carbonyl-N'.phenyl Ureas 被引量:1
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作者 国丹丹 王治文 +8 位作者 范志金 赵晖 张薇 程家高 杨家强 吴青君 张友军 范谦 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2012年第10期2522-2532,共11页
Twenty nine novel N-4-methyl-1,2,3-thiadiazole-5-carbonyl-N'-phenyl ureas were designed and synthesized, and their structures were confirmed by proton nuclear magnetic resonance (1H NMR), infra red spectroscopy (I... Twenty nine novel N-4-methyl-1,2,3-thiadiazole-5-carbonyl-N'-phenyl ureas were designed and synthesized, and their structures were confirmed by proton nuclear magnetic resonance (1H NMR), infra red spectroscopy (IR) and high-resolution mass spectroscopy (HRMS). Compounds V-9, V-11, V-12, V-15, V-19, V-21, V-22 and V-24 exhibit excellent activity against Culex pipiens pallens. Compounds V-12 and V-22 present good insecticidal activity against Plutella xylostella L. Their median lethal concentrations (LC50) are 164.15 and 89.69 mg-L^-1, respec- tively. Compound V-11 also has potential wide spectrum of fungicide activity. Its median effective concentrations (ECs0) detected from 3.82 μg·mL 1 against Physalospora piricola to 31.60 μg·mL-i against Cercospora arachidi- cola. Compounds V-15 and V-24 show outstanding induction activities as same as positive controls TDL and ning- nanmycin, furthermore V-24 has the highest induction activity of 41.85%±4.43%. To elucidate the structure activity relationship in these compounds, a 3D-QSAR model has been built. The established model showed a reliable predicting ability with q2 values of 0.643 and r2 values of 0.982. 展开更多
关键词 4-methyl-1 2 3-thiadiazole derivatives benzoylurea pesticides insecticidal activity 3D QSAR model
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