SDS of cas: 7051-34-5In 2022 ,《Design, Synthesis, Herbicidal Activity, and Molecular Docking Study of 2-Thioether-5-(Thienyl/Pyridyl)-1,3,4-Oxadiazoles as Potent Transketolase Inhibitors》 was published in Journal of Agricultural and Food Chemistry. The article was written by Wang, Yan-En; Yang, Dongchen; Dai, Longtao; Huo, Jingqian; Chen, Lai; Kang, Zhanhai; Mao, Jianyou; Zhang, Jinlin. The article contains the following contents:
A series of 2-thioether-5-(thienyl/pyridyl)-1,3,4-oxadiazoles I [R = 3-thienyl, 2-pyridyl; R1 = cyclopropylmethyl, 2-pyridyl, 2-pyridylmethyl, (3,5-dimethylisoxazol-4-yl)methy, etc.] were designed and synthesized based on TK as the new target. The preliminary bioassay results indicated that compounds I [R = 2-pyridyl, R1 = 2-pyridylmethyl; R = R1 = 2-pyridyl] displayed the best herbicidal activities against Amaranthus retroflexus (AR) and Digitaria sanguinalis (DS), with the inhibition exceeding 90% at 100-200 mg/L in vitro. Moreover, they also displayed higher postemergence herbicidal activities (90% control) against AR and DS than all of the pos. controls at 45-90 g [active ingredient (ai)]/ha in a greenhouse. Notably, compounds I [R = 2-pyridyl, R1 = 2-pyridylmethyl; R = R1 = 2-pyridyl] showed a broad spectrum of weed control at 90 g ai/ha. More significantly, compound I [R = 2-pyridyl, R1 = 2-pyridylmethyl] exhibited good crop selectivity against maize at 90 g ai/ha. Both fluorescent binding experiments and mol. docking analyses indicated that compounds I [R = 2-pyridyl, R1 = 2-pyridylmethyl; R = R1 = 2-pyridyl] exhibited strong TK inhibitory activities with superior binding affinities than the others. Preliminary mechanism studies suggested that they might exert their TK inhibitory effects by occupying the active cavity of At TK and forming more strong interactions with amino acids in the active site. Taken together, these results suggested that compound I [R = 2-pyridyl, R1 = 2-pyridylmethyl] was a potential herbicide candidate for weed control in maize fields targeting TK. The experimental process involved the reaction of (Bromomethyl)cyclopropane(cas: 7051-34-5SDS of cas: 7051-34-5)
(Bromomethyl)cyclopropane(cas: 7051-34-5) is used as a synthetic building block for the introduction of the cyclopropylmethyl group. It was also used in the synthesis of 1,4-dienes via iron-catalyzed cross-coupling with alkenyl Grignard reagents.SDS of cas: 7051-34-5
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary