Wang, Weibo; Li, Zhixinyi; Gao, Wei; Liu, Xiaoyu; Lv, You; Hao, Zesheng; Tang, Liangfu; Li, Kun; Zhao, Bin; Fan, Zhijin published the artcile< Design, Synthesis, and Evaluation of Novel Isothiazole-Purines as a Pyruvate Kinase-Based Fungicidal Lead Compound>, HPLC of Formula: 3959-07-7, the main research area is isothiazole purine preparation pyruvate kinase inhibitor fungicide phytopathogenic fungi; fungicidal activity; molecular docking; pyruvate kinase inhibitors.
Target identification is one of the most important bases for novel pesticide development; pyruvate kinase (PK) was discovered as a potent fungicide target in our previous studies. To continue the PK-based fungicide development, novel isothiazole-purine derivatives were rationally designed and synthesized. Bioassay results showed that compound 5ai displayed excellent in vitro activity against Rhizoctonia solani with an EC50 of 1.5μg/mL, which was superior to those of pos. controls diflumetorim with its EC50 of 19.8μg/mL and PK-based lead YZK-C22 with its EC50 of 4.2μg/mL. Compounds (I) (5.2μg/mL) and (II) (4.5μg/mL) displayed better activities against Gibberella zeae with their EC50s falling between 4.0 and 5.5μg/mL, while YZK-C22 showed an EC50 of 6.4μg/mL. In addition, (III) exhibited promising in vivo activity against Erysiphe graminis and Puccinia sorghi Schw. with 100% efficacy at 10μg/mL and 90% efficacy at 2μg/mL against P. sorghi Schw. Compound (IV) showed good PK inhibitory activity with an IC50 of 38.8μmol/L, and it was well docked into the active site of the target enzyme PK, which was slightly more active than YZK-C22 with its IC50 of 42.4μmol/L. Our studies discovered that isothiazole-purines were PK-based fungicidal leads deserving of further study.
Journal of Agricultural and Food Chemistry published new progress about Agrochemical fungicides. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, HPLC of Formula: 3959-07-7.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary