4-Oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine Derivatives: Design, Synthesis, Insecticidal Assay and Binding Mode Studies,Chemistry & Biodiversity

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4-Oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine Derivatives: Design, Synthesis, Insecticidal Assay and Binding Mode Studies
Chemistry & Biodiversity ( IF 2.3 ) Pub Date : 2022-07-03 , DOI: 10.1002/cbdv.202200236
Guanglong Li ₁ , Keya Xiao ₁ , Man Shi ₁ , Jing Shuai ₁ , Zhiping Xu ₁ , Zhong Li ₁ , Jiagao Cheng ₁

Affiliation

A series of 4-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine derivatives were designed and synthesized based on the fipronil low energy conformation by scaffold hopping strategy. Physicochemical properties calculation, insecticidal assay and binding mode studies were also performed. It was found that the target compounds displayed lower insecticidal activities than fipronil. The differences in binding modes between these compounds and fipronil may be the major reason for reduced insecticidal activities.

中文翻译：

4-氧代-4,5,6,7-四氢-1H-吡唑并[3,4-d]嘧啶衍生物：设计、合成、杀虫试验和结合模式研究

基于氟虫腈低能构象，采用支架跳跃策略设计合成了一系列4-oxo-4,5,6,7-四氢-1H-吡唑并[3,4- d ]嘧啶衍生物。还进行了理化性质计算、杀虫试验和结合模式研究。发现目标化合物的杀虫活性低于氟虫腈。这些化合物与氟虫腈结合方式的差异可能是杀虫活性降低的主要原因。

更新日期：2022-07-03

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