Li, Pei; Yin, Juan; Xu, Weiming; Wu, Jian; He, Ming; Hu, Deyu; Yang, Song; Song, Baoan published the artcile< Synthesis, Antibacterial Activities, and 3D-QSAR of Sulfone Derivatives Containing 1, 3, 4-Oxadiazole Moiety>, Computed Properties of 2905-54-6, the main research area is oxadiazole sulfone preparation antibacterial activity QSAR; 3D-QSAR; CoMFA; CoMSIA; antibacterial activities; sulfone derivatives; synthesis.
A series of sulfone derivatives containing 1, 3, 4-oxadiazole moiety were prepared and evaluated for their antibacterial activities by the turbidimeter test. Most compounds inhibited growth of Ralstonia solanacearum (R. solanacearum) from tomato and tobacco bacterial wilt with high potency, among which compounds I [X = H, F] exhibited the most potent inhibition against R. solanacearum from tomato and tobacco bacterial wilts with EC50 values of 19.77 and 8.29 μg/mL, resp. Our results also demonstrated that I [X = H, F] and a number of other compounds were more potent than com. bactericides Kocide 3000 and Thiodiazole Copper, which inhibited R. solanacearum from tomato bacterial wilt with EC50 values of 93.59 and 99.80 μg/mL and tobacco bacterial wilt with EC50 values of 45.91 and 216.70 μg/mL, resp. The structure-activity relationship (SAR) of compounds was studied using three-dimensional quant. structure-activity relationship (3D-QSAR) models created by comparative mol. field anal. (CoMFA) and comparative mol. similarity index anal. (CoMSIA) based on compound bioactivities against tomato and tobacco bacterial wilts. The 3D-QSAR models effectively predicted the correlation between inhibitory activity and steric-electrostatic properties of compounds
Chemical Biology & Drug Design published new progress about Agrochemicals. 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Computed Properties of 2905-54-6.
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Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics