The ever-evolving research in the field of antitubercular agents has led to the identification of several new potential drug classes. Among them, 5-phenyl-furan-2-carboxylic acids have emerged as innovative potential therapeutics, targeting iron acquisition in mycobacterial species. In our efforts to characterize the molecular interactions between these compounds and their protein target (MbtI from M. tuberculosis) by means of co-crystallization experiments, we unexpectedly obtained the structure of 5-(4-nitrophenyl)furan-2-carboxylic acid (1). Herein, we describe the preparation of the compound and its analysis by 1H NMR, 13C NMR, HRMS, and SC-XRD.
5-(4-Nitrophenyl)furan-2-carboxylic Acid / M. Mori, A. Tresoldi, S. Villa, G. Cazzaniga, M. Bellinzoni, F. Meneghetti. - In: MOLBANK. - ISSN 1422-8599. - 2022:4(2022 Dec 02), pp. M1515.1-M1515.9. [10.3390/M1515]
5-(4-Nitrophenyl)furan-2-carboxylic Acid
M. MoriPrimo
;S. Villa;G. Cazzaniga;F. Meneghetti
Ultimo
2022
Abstract
The ever-evolving research in the field of antitubercular agents has led to the identification of several new potential drug classes. Among them, 5-phenyl-furan-2-carboxylic acids have emerged as innovative potential therapeutics, targeting iron acquisition in mycobacterial species. In our efforts to characterize the molecular interactions between these compounds and their protein target (MbtI from M. tuberculosis) by means of co-crystallization experiments, we unexpectedly obtained the structure of 5-(4-nitrophenyl)furan-2-carboxylic acid (1). Herein, we describe the preparation of the compound and its analysis by 1H NMR, 13C NMR, HRMS, and SC-XRD.
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