Preprint Short Note Version 1 Preserved in Portico This version is not peer-reviewed

N'-(5-bromofuran-2-carbonyl)isonicotinohydrazide

Version 1 : Received: 3 July 2023 / Approved: 3 July 2023 / Online: 3 July 2023 (10:19:42 CEST)

A peer-reviewed article of this Preprint also exists.

Ramadhani, E.Y.; Aijijiyah, N.P.; Santoso, E.; Atmaja, L.; Santoso, M. N′-(5-Bromofuran-2-carbonyl)isonicotinohydrazide. Molbank 2023, 2023, M1706. Ramadhani, E.Y.; Aijijiyah, N.P.; Santoso, E.; Atmaja, L.; Santoso, M. N′-(5-Bromofuran-2-carbonyl)isonicotinohydrazide. Molbank 2023, 2023, M1706.

Abstract

N'-(5-bromofuran-2-carbonyl)isonicotinohydrazide (1) was obtained as a white solid in 83% yield by 2-methyl-6-nitrobenzoic anhydride (MNBA)/4-dimethylaminopyridine (DMAP)-catalyzed reaction of 5-bromofuran-2-carboxylic acid and isoniazid in dichloromethane at room temperature. The structure of N'-(5-bromofuran-2-carbonyl)isonicotinohydrazide (1) was elucidated by 1H NMR, 13C NMR, FTIR, and the high resolution mass spectrometers. Molecular docking screening of the title compound (1) on the cyclooxygenase-2 (COX-2) protein (PDB ID: 5IKR) exhibited that compound (1) has a good binding affinity, suggesting that it is very interesting for further structure optimization and in-depth research as a potential COX-2 inhibitor.

Keywords

furan carboxamide; organic synthesis; furoic acid; isoniazid; molecular docking; COX-2 inhibitor

Subject

Chemistry and Materials Science, Organic Chemistry

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