Crystal structure, hirshfeld surface analysis and dft studies of 5-(adamantan-1-yl)-3-[(4-chlorobenzyl)sulfanyl]-4-methyl-4h-1,2,4-triazole, a potential 11β-hsd1 inhibitor
| dc.contributor.author | Joubert, Jacques | |
| dc.date.accessioned | 2022-12-05T10:53:30Z | |
| dc.date.available | 2022-12-05T10:53:30Z | |
| dc.date.issued | 2019 | |
| dc.description.abstract | 5-(Adamantan-1-yl)-3-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole (4) was identified as a potential 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor and this paper describes the in-depth structural analysis thereof. Compound 4 was synthesized in a 92% yield and its 3D-structure confirmed by single-crystal X-ray diffraction. | en_US |
| dc.identifier.citation | Al-Wahaibi, L.H., Joubert, J., Blacque, O. et al. Crystal structure, Hirshfeld surface analysis and DFT studies of 5-(adamantan-1-yl)-3-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole, a potential 11β-HSD1 inhibitor. Sci Rep 9, 19745 (2019). https://doi.org/10.1038/s41598-019-56331-z | en_US |
| dc.identifier.other | DOI: 10.1038/s41598-019-56331-z | |
| dc.identifier.uri | http://hdl.handle.net/10566/8227 | |
| dc.language.iso | en_US | en_US |
| dc.publisher | Scientific Reports | en_US |
| dc.subject | crystal X-ray | en_US |
| dc.subject | 11β-hydroxysteroid dehydrogenase | en_US |
| dc.subject | adamantyl moiety | en_US |
| dc.subject | molecules | en_US |
| dc.subject | drugs | en_US |
| dc.title | Crystal structure, hirshfeld surface analysis and dft studies of 5-(adamantan-1-yl)-3-[(4-chlorobenzyl)sulfanyl]-4-methyl-4h-1,2,4-triazole, a potential 11β-hsd1 inhibitor | en_US |
| dc.type | Article | en_US |
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