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. Mori
Primo
;
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.
furan; SC-XRD; synchrotron; Mycobacterium tuberculosis; antitubercular agent; iron acquisition; MbtI;
Settore CHIM/08 - Chimica Farmaceutica
Settore CHIM/06 - Chimica Organica
PSRL222MGELM_01 - Piano di Sostegno alla Ricerca 2015-2017 - Linea 2 "Dotazione annuale per attività istituzionali" (anno 2021) - GELMI, MARIA LUISA - PSR_LINEA2_ / Piano di sviluppo di ricerca - Dotazioni dipartimentali - Linea 2 - 2022
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/947356
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