6-Bromo-<em>N</em>-(3-(Difluoromethyl)phenyl)quinolin-4-Amine

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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Main Authors: Christopher R. M. Asquith, Graham J. Tizzard
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:Molbank
Subjects:
4-anilino-quin(az)olines
hinge binder
conformational flexibility
kinase inhibitor design
Online Access:https://www.mdpi.com/1422-8599/2020/4/M1161
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spelling doaj-3498346bf7c04255b431b0a8374f0b682020-11-25T03:43:51ZengMDPI AGMolbank1422-85992020-10-012020M1161M116110.3390/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
collection DOAJ
language English
format Article
sources DOAJ
author Christopher R. M. Asquith
Graham J. Tizzard
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
author_facet Christopher R. M. Asquith
Graham J. Tizzard
author_sort Christopher R. M. Asquith
title 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_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_sort 6-bromo-<em>n</em>-(3-(difluoromethyl)phenyl)quinolin-4-amine
publisher MDPI AG
series Molbank
issn 1422-8599
publishDate 2020-10-01
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.
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
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