Hadhoum, Nadia published the artcileDesign and one-pot synthesis of some new [3,5-di(4′,5′-diphenyl-2′-substituted)-1H-imidazol-1-yl]]-1H-1,2,4-triazole derivatives: in silico admet and docking study, antibacterial and antifungal activities evaluation, Name: 3,5-Diamino-1,2,4-triazole, the main research area is diphenyl imidazolyl triazole preparation mol docking antibacterial antifungal SAR.
In this paper, a new series of some [3,5-di(4′,5′-diphenyl-2′-substituted)-1H-imidazol-1-yl]-1H-1,2,4-triazole derivatives I (R = H, Ph, 4-MeOC6H4, etc.) were efficiently synthesized by a one-pot three component reaction via a coupling of benzil, aldehydes and 3,5-diamino-1,2,4-triazole and using ceric ammonium nitrate as a catalyst. The structures of the newly compounds were investigated by IR, 1H NMR, 13C NMR and UV-visible spectroscopy. The in vitro antibacterial and antifungal activities showed that the I (R = 2-OH,5-O2NC6H3) is the most active compound The I (R = 2-OH,5-O2NC6H3) docking study revealed the best mode of binding in the active site of the cytochrome P 450 lanosterol 14α-demethylase. All the synthesized compounds were predicted as non-carcinogens and demonstrated acceptable pharmacokinetic profile in blood brain barrier (BBB) and human intestinal absorption (HIA).
Heterocycles published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Name: 3,5-Diamino-1,2,4-triazole.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem