Category: amides-buliding-blocksIn 2022 ,《Synthesis, characterization, molecular modeling against EGFR target and ADME/T analysis of novel purine derivatives of sulfonamides》 appeared in Journal of Molecular Structure. The author of the article were Bhat, Mashooq A.; Tuzun, Burak; Alsaif, Nawaf A.; Ali Khan, Azmat; Naglah, Ahmed M.. The article conveys some information:
A novel series of purine derivatives containing sulfonamide moiety I [R = NH, CH2CH2NH, NHSO2, etc.; R1 = SO2OH, SO2NH2, SO2NC(NH)2, etc.] were synthesized in good yield by the single-step reaction method. The chem. activities of the mols. at the B3LYP, HF, M062X level 3-21 g, 6-31 g, and SDD basis were set with the Gaussian package program. The biol. activities of the mols. against the epidermal growth factor receptor (EGFR) proteins (PDB ID: 1M17 and 2ITN) were compared with the Maestro Mol. modeling platform by Schrodinger. Compound I [R = NH; R1 = SO2NH-2-4,5-dimethyloxazole] had the highest value in all basis sets, according to the numerical value of the HOMO parameter. The interactions of compound I [R = NH; R1 = SO2NH-2-4,5-dimethyloxazole] with Epidermal Growth Factor Receptor ID: 1M17 and ID: 2ITN proteins, presented the highest activity. Finally, ADME/T anal. was performed to examine the drug properties of the mols. In the part of experimental materials, we found many familiar compounds, such as 4-Methylbenzenesulfonamide(cas: 70-55-3Category: amides-buliding-blocks)
4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Category: amides-buliding-blocks
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics