Cyclo­oxygenase-1-selective inhibitor SC-560

In the title compound, 5-(4-chloro­phen­yl)-1-(4-methoxy­phen­yl)-3-(trifluoro­meth­yl)-1H-pyrazole (SC-560), C(17)H(12)ClF(3)N(2)O, a COX-1-selective inhibitor, the dihedral angles between the heterocycle and the chlorobenzene and methoxybenzene rings are 41.66 (6) and 43.08 (7)°, respectively. The...

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Detalles Bibliográficos
Autores principales: Long, Sihui, Theiss, Kathryn L., Li, Tonglei, Loftin, Charles D.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968361/
https://www.ncbi.nlm.nih.gov/pubmed/21581958
http://dx.doi.org/10.1107/S1600536809001779
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author Long, Sihui
Theiss, Kathryn L.
Li, Tonglei
Loftin, Charles D.
author_facet Long, Sihui
Theiss, Kathryn L.
Li, Tonglei
Loftin, Charles D.
author_sort Long, Sihui
collection PubMed
description In the title compound, 5-(4-chloro­phen­yl)-1-(4-methoxy­phen­yl)-3-(trifluoro­meth­yl)-1H-pyrazole (SC-560), C(17)H(12)ClF(3)N(2)O, a COX-1-selective inhibitor, the dihedral angles between the heterocycle and the chlorobenzene and methoxybenzene rings are 41.66 (6) and 43.08 (7)°, respectively. The dihedral angle between the two phenyl rings is 59.94 (6)°. No classic hydrogen bonds are possible in the crystal, and intermolecular interactions must be mainly of the dispersion type. This information may aid the identification of dosage formulations with improved oral bioavailability.
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spelling pubmed-29683612010-12-30 Cyclo­oxygenase-1-selective inhibitor SC-560 Long, Sihui Theiss, Kathryn L. Li, Tonglei Loftin, Charles D. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, 5-(4-chloro­phen­yl)-1-(4-methoxy­phen­yl)-3-(trifluoro­meth­yl)-1H-pyrazole (SC-560), C(17)H(12)ClF(3)N(2)O, a COX-1-selective inhibitor, the dihedral angles between the heterocycle and the chlorobenzene and methoxybenzene rings are 41.66 (6) and 43.08 (7)°, respectively. The dihedral angle between the two phenyl rings is 59.94 (6)°. No classic hydrogen bonds are possible in the crystal, and intermolecular interactions must be mainly of the dispersion type. This information may aid the identification of dosage formulations with improved oral bioavailability. International Union of Crystallography 2009-01-23 /pmc/articles/PMC2968361/ /pubmed/21581958 http://dx.doi.org/10.1107/S1600536809001779 Text en © Long et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Long, Sihui
Theiss, Kathryn L.
Li, Tonglei
Loftin, Charles D.
Cyclo­oxygenase-1-selective inhibitor SC-560
title Cyclo­oxygenase-1-selective inhibitor SC-560
title_full Cyclo­oxygenase-1-selective inhibitor SC-560
title_fullStr Cyclo­oxygenase-1-selective inhibitor SC-560
title_full_unstemmed Cyclo­oxygenase-1-selective inhibitor SC-560
title_short Cyclo­oxygenase-1-selective inhibitor SC-560
title_sort cyclo­oxygenase-1-selective inhibitor sc-560
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968361/
https://www.ncbi.nlm.nih.gov/pubmed/21581958
http://dx.doi.org/10.1107/S1600536809001779
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AT theisskathrynl cyclooxygenase1selectiveinhibitorsc560
AT litonglei cyclooxygenase1selectiveinhibitorsc560
AT loftincharlesd cyclooxygenase1selectiveinhibitorsc560

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