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Structural characterization and antimycobacterial evaluation of a benzimidazole analogue of the antituberculosis clinical drug candidate TBA-7371.
- Source :
- Acta Crystallographica Section E: Crystallographic Communications; Dec2022, Vol. 78 Issue 12, p1184-1188, 13p
- Publication Year :
- 2022
-
Abstract
- The crystal structure and in vitro antimycobacterial properties of N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-1H-benzo[d]imidazole-4-carboxamide (C17H<subscript>18</subscript>FN<subscript>5</subscript>O<subscript>2</subscript>, 1), a previously reported benzimidazoleanalogue of the 1,4-azaindole-based antituberculosis drug candidate TBA-7371, are reported. The structure determination was achieved using Hirshfeld atomrefinement. Compound 1 crystallizes in the triclinic system (space group P1)with two molecules in the asymmetric unit (Z0 = 2). The two crystallographicallydistinct molecules exhibit a similar conformation with the amide groups in a Zconformation, forming an intramolecular N<subscript>amide</subscript>--H· · ·N<subscript>benzimidazole</subscript> hydrogenbond. The most significant supramolecular feature in the solid-state is arelatively short C<subscript>benzimidazole</subscript>--H· · ·N<subscript>pyrimidine</subscript> hydrogen bond. Antimycobacterialtesting confirmed in vitro activity against Mycobacterium smegmatis, but nogrowth inhibtion of Mycobacterium abscessus was found. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 20569890
- Volume :
- 78
- Issue :
- 12
- Database :
- Complementary Index
- Journal :
- Acta Crystallographica Section E: Crystallographic Communications
- Publication Type :
- Academic Journal
- Accession number :
- 160702326
- Full Text :
- https://doi.org/10.1107/S2056989022010556