Chen, Wei; Li, Yuxin; Zhou, Yunyun; Ma, Yi; Li, Zhengming published the artcile< Design, synthesis and SAR study of novel sulfonylurea derivatives containing arylpyrimidine moieties as potential anti-phytopathogenic fungal agents>, HPLC of Formula: 6961-82-6, the main research area is sulfonyl urea pyrimidinyl preparation plant pathogen antifungal activity.
Herein, three series of novel sulfonylureas (SUs) containing aromatic-substituted pyrimidines I (Ar = 4-methylphenyl, 2-furyl, 2-thienyl; R1 = H, Cl, Br, I; R2 = NO2, COOMe, Cl; R3 = H, NO2) were designed and synthesized according to pharmacophore-combination and bioisosterism strategy. The in vitro fungicidal activities against ten phytopathogenic fungi indicated that most of the title compounds I exhibited broad-spectrum and excellent fungicidal activities. Based on the preliminary fungicidal activities, a CoMFA model was constructed and the 3D-QSAR anal. indicated that either a bulky group around the 5-position of the pyrimidine ring or electropos. group around the 2-position of the benzene ring would be favor to fungicidal activities. In order to study interaction mechanism, compound I (Ar = 2-furyl; R1 = Br; R2 = Cl; R3 = H) was automatically docked into yeast acetohydroxyacid synthase (AHAS) and it further indicated that bearing bulky groups-aryl at the pyrimidine ring was critical to enhance antifungal activities. It revealed that the antifungal activity of derivatives I probably results from the inhibition of fungal AHAS. Thus, the present results strongly showed that SUs should be considered as lead compounds or model mols. to develop novel anti-phytopathogenic fungal agents.
Chinese Chemical Letters published new progress about Agrochemical fungicides. 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, HPLC of Formula: 6961-82-6.
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics