基于结构的生物等排设计、含吡唑环的 1,2,4-恶二唑取代苯甲酰胺类似物的合成、生物活性和毒性。
Structure-Based Bioisosterism Design, Synthesis, Biological Activity and Toxicity of 1,2,4-Oxadiazole Substituted Benzamides Analogues Containing Pyrazole Rings.
机构信息
College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China.
School of Environmental Science and Engineering, Suzhou University of Science and Technology, Suzhou 215009, China.
出版信息
Molecules. 2022 Jul 22;27(15):4692. doi: 10.3390/molecules27154692.
In order to discover pesticidal lead compounds with high activity and low toxicity, a series of novel benzamides substituted with pyrazole-linked 1,2,4-oxadiazole were designed via bioisosterism. The chemical structures of the target compounds were confirmed via H NMR, C NMR and HRMS analysis. The preliminary bioassay showed that most compounds exhibited good lethal activities against , , and at 500 mg/L. Particularly in the case of , compound (70%) exhibited obvious insecticidal activity. In addition, compound demonstrated good fungicidal activity against with an inhibition rate of 77.8%, and compounds , , and also showed certain antifungal activities (55.6-66.7%). The zebrafish toxicity test showed that the LC of compound was 14.01 mg/L, which indicated that it may be used as a potential leading compound for further structural optimization.
为了发现具有高活性和低毒性的杀农药先导化合物，通过生物等排原理设计了一系列新型的吡唑连接 1,2,4-噁二唑取代的苯甲酰胺。通过 1 H NMR、13 C NMR 和 HRMS 分析确证了目标化合物的化学结构。初步的生物测定表明，大多数化合物在 500mg/L 时对 、 、 、 表现出良好的致死活性。特别是在 方面，化合物 （70%）表现出明显的杀虫活性。此外，化合物 对 表现出良好的杀菌活性，抑制率为 77.8%，化合物 、 、 也表现出一定的抗真菌活性（55.6-66.7%）。斑马鱼毒性试验表明，化合物 的 LC 为 14.01mg/L，这表明它可能被用作进一步结构优化的潜在先导化合物。
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