Let¡¯s face it, organic chemistry can seem difficult to learn, Category: pyrazoles-derivatives, Especially from a beginner¡¯s point of view. Like 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is C9H15NO2, belongs to catalyst-ligand compound. In a document, author is Kausar, Nabeela, introducing its new discovery.
Celebrex derivatives: Synthesis, alpha-glucosidase inhibition, crystal structures and molecular docking studies
Celebrex (1), commonly used as an anti-inflammatory drug, was functionalized (compounds 2-9) to identify new alpha-glucosidase inhibitors. Initially, all the synthesized derivatives were evaluated for anti-inflammatory activity but none was found to be active. Subsequently a random biological screening was carried out. Interestingly many of them were found to be potent alpha-glucosidase inhibitors in vitro. All the structures of synthesized derivatives were deduced through H-1 NMR, FAB-MS, HR-MS, FT-IR analysis. The single-crystal X-ray structures of compounds 1, and 5 further confirmed the assigned structures. Compounds exhibited a potent alpha-glucosidase inhibitory activity (IC50 = 92.32 +/- 1.530-445.20 +/- 1.04 mu M) against tested standard acarbose (IC50 = 875.75 +/- 2.08 mu M), except compounds 2 and 4, which appeared as inactive. Among them, compound 9 (IC50 = 92.32 +/- 1.530 mu M) was the most potent inhibitor of alpha-glucosidase enzyme. Molecular docking studies revealed that compounds 6, and 9 interacted with the key amino acid residues of alpha-glucosidase via H-bonding, and pi-pi stacking interactions. alpha-Glucosidase is a key target for the anti-diabetic drug development, and its inhibitors are known to exert anti hyperglycemic effect and help in lowering of post-prandial blood glucose levels.
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Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics