20266-25-5Relevant academic research and scientific papers
Synthesis of 3-(5-amino-1: H -1,2,4-triazol-3-yl)propanamides and their tautomerism
Lim, Felicia Phei Lin,Tan, Lin Yuing,Tiekink, Edward R. T.,Dolzhenko, Anton V.
, p. 22351 - 22360 (2018/07/03)
Two complementary pathways for the preparation of N-substituted 3-(5-amino-1H-1,2,4-triazol-3-yl)propanamides (5) were proposed and successfully realized in the synthesis of 20 representative examples. These methods use the same types of starting material
Ligand-based modelling followed by synthetic exploration unveil novel glycogen phosphorylase inhibitory leads
Habash, Maha,Taha, Mutasem O.
experimental part, p. 4746 - 4771 (2011/09/20)
Glycogen phosphorylase (GP) is a valid anti-diabetic target. Accordingly, we applied a drug discovery workflow to unveil novel inhibitory GP leads via combining pharmacophore modeling, QSAR analysis and in silico screening, followed by synthetic exploration of active hits. Virtual screening identified six low micromolar inhibitory leads from the National Cancer Institute (NCI) list of compounds. The most potent hits exhibited anti-GP IC50 values of 3.2 and 4.1 μM. Synthetic exploration of hit 59 (IC50 = 4.1 μM) yielded 25 lead inhibitors with the best illustrating IC50 of 3.0 μM. Interestingly, we prepared several novel mixed oxalyl amide anti-GP leads employing new chemical reaction involving succinic acid-based adducts.
