6-Bromo-<em>N</em>-(3-(difluoromethyl)phenyl)quinolin-4-amine
A routine synthesis was performed to furnish the title compound which incorporates a versatile difluoromethyl group on the aniline substitution of a 4-anilinoquinoline kinase inhibitor motif. In addition, the small molecule crystal structure (of the HCl salt) was solved, which uncovered that the dif...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-10-01
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| Series: | Molbank |
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| Online Access: | https://www.mdpi.com/1422-8599/2020/4/M1161 |
| _version_ | 1797550377557557248 |
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| author | Christopher R. M. Asquith Graham J. Tizzard |
| author_facet | Christopher R. M. Asquith Graham J. Tizzard |
| author_sort | Christopher R. M. Asquith |
| collection | DOAJ |
| description | A routine synthesis was performed to furnish the title compound which incorporates a versatile difluoromethyl group on the aniline substitution of a 4-anilinoquinoline kinase inhibitor motif. In addition, the small molecule crystal structure (of the HCl salt) was solved, which uncovered that the difluoromethyl group was disordered within the packing arrangement and also a 126.08(7)° out of plane character between the respective ring systems within the molecule. The compound was fully characterized with <sup>1</sup>H/<sup>13</sup>C-NMR and high-resolution mass spectra (HRMS), with the procedures described. |
| first_indexed | 2024-03-10T15:28:25Z |
| format | Article |
| id | doaj.art-3498346bf7c04255b431b0a8374f0b68 |
| institution | Directory Open Access Journal |
| issn | 1422-8599 |
| language | English |
| last_indexed | 2024-03-10T15:28:25Z |
| publishDate | 2020-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molbank |
| spelling | doaj.art-3498346bf7c04255b431b0a8374f0b682023-11-20T17:48:03ZengMDPI AGMolbank1422-85992020-10-0120204M116110.3390/M11616-Bromo-<em>N</em>-(3-(difluoromethyl)phenyl)quinolin-4-amineChristopher R. M. Asquith0Graham J. Tizzard1Department of Pharmacology, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USAUK National Crystallography Service, School of Chemistry, Highfield Campus, University of Southampton, Southampton SO17 1BJ, UKA routine synthesis was performed to furnish the title compound which incorporates a versatile difluoromethyl group on the aniline substitution of a 4-anilinoquinoline kinase inhibitor motif. In addition, the small molecule crystal structure (of the HCl salt) was solved, which uncovered that the difluoromethyl group was disordered within the packing arrangement and also a 126.08(7)° out of plane character between the respective ring systems within the molecule. The compound was fully characterized with <sup>1</sup>H/<sup>13</sup>C-NMR and high-resolution mass spectra (HRMS), with the procedures described.https://www.mdpi.com/1422-8599/2020/4/M11614-anilino-quin(az)olineshinge binderconformational flexibilitykinase inhibitor design |
| spellingShingle | Christopher R. M. Asquith Graham J. Tizzard 6-Bromo-<em>N</em>-(3-(difluoromethyl)phenyl)quinolin-4-amine Molbank 4-anilino-quin(az)olines hinge binder conformational flexibility kinase inhibitor design |
| title | 6-Bromo-<em>N</em>-(3-(difluoromethyl)phenyl)quinolin-4-amine |
| title_full | 6-Bromo-<em>N</em>-(3-(difluoromethyl)phenyl)quinolin-4-amine |
| title_fullStr | 6-Bromo-<em>N</em>-(3-(difluoromethyl)phenyl)quinolin-4-amine |
| title_full_unstemmed | 6-Bromo-<em>N</em>-(3-(difluoromethyl)phenyl)quinolin-4-amine |
| title_short | 6-Bromo-<em>N</em>-(3-(difluoromethyl)phenyl)quinolin-4-amine |
| title_sort | 6 bromo em n em 3 difluoromethyl phenyl quinolin 4 amine |
| topic | 4-anilino-quin(az)olines hinge binder conformational flexibility kinase inhibitor design |
| url | https://www.mdpi.com/1422-8599/2020/4/M1161 |
| work_keys_str_mv | AT christopherrmasquith 6bromoemnem3difluoromethylphenylquinolin4amine AT grahamjtizzard 6bromoemnem3difluoromethylphenylquinolin4amine |