Yan, Zhongzhong published the artcileDesign, synthesis, DFT study and antifungal activity of the derivatives of pyrazolecarboxamide containing thiazole or oxazole ring, Recommanded Product: 2,4-Dichlorobenzamide, the publication is European Journal of Medicinal Chemistry (2018), 170-181, database is CAplus and MEDLINE.
To discover new pyrazolecarboxamide analogs with broad spectrum and high activity, a class of new compounds of pyrazole carboxamide derivatives containing thiazole or oxazole ring I (R1 = H, 4-Me, 2-Cl, etc.; R2 = H, Cl, Me; R3 = Me, Et, i-Pr, cyclopropyl; R4 = H, Et, Me, Ph; Z = S, O) was designed by scaffold hopping and bioisosterism, and 36 pyrazole carboxamide derivatives with antifungal activity were synthesized. Those compounds I were evaluated against five phytopathogenic fungi, Gibberella zeae, Phytophythora capsici, Sclerotonia sclerotiorum, Erysiphe graminis and Puccinia sorghi. The results indicated that most of the compounds displayed good fungicidal activities, especially against E. graminis. Theor. calculations were carried out at the B3LYP/6-31G (d, p) level and the full geometry optimization was carried out using the 6-31G (d, p) basis set, and the frontier orbital energy, at. net charges and, mol. docking were discussed, and the structure-activity relationships were also studied.
European Journal of Medicinal Chemistry published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C14H19NO8, Recommanded Product: 2,4-Dichlorobenzamide.
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