Evaluation of logPo/w values of drugs from some molecular structure calculation software

The iridium‐catalyzed asymmetric hydrogenation of several N‐sulfonyl allyl amines is reported. All substrates can be easily obtained by the Ir‐catalyzed isomerization of N‐tosylaziridines reported previously. The commercially available threonine‐derived phosphinite (UbaPHOX) iridium complex has been...

Descripción completa

Detalles Bibliográficos
Autores: Pallicer Santana, Juan Manuel, Rosés Pascual, Martí, Ràfols Llach, Clara, Bosch, Elisabeth, Pascual, Rosalía, Port, Ariadna
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2014
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/143378
Acceso en línea:https://hdl.handle.net/2445/143378
Access Level:acceso abierto
Palabra clave:Lipofília
Química farmacèutica
Lipophilicity
Pharmaceutical chemistry
id ES_a7396741b2b8b00e936b81bc16ff6607
oai_identifier_str oai:recercat.cat:2445/143378
network_acronym_str ES
network_name_str España
repository_id_str
spelling Evaluation of logPo/w values of drugs from some molecular structure calculation softwarePallicer Santana, Juan ManuelRosés Pascual, MartíRàfols Llach, ClaraBosch, ElisabethPascual, RosalíaPort, AriadnaLipofíliaQuímica farmacèuticaLipophilicityPharmaceutical chemistryThe iridium‐catalyzed asymmetric hydrogenation of several N‐sulfonyl allyl amines is reported. All substrates can be easily obtained by the Ir‐catalyzed isomerization of N‐tosylaziridines reported previously. The commercially available threonine‐derived phosphinite (UbaPHOX) iridium complex has been found to be the best catalyst for this catalytic application, affording β‐methyl amines with good to excellent ee values (up to 94%). The synthetic potential of this novel methodology was demonstrated by the formal synthesis of Lorcaserin and LY‐404187.IAPC Publishing2019201920142019info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersion8 p.application/pdfapplication/pdfhttps://hdl.handle.net/2445/143378Articles publicats en revistes (Enginyeria Química i Química Analítica)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésReproducció del document publicat a: https://doi.org/10.5599/admet.2.2.45ADMET & DMPK, 2014, vol. 2, num. 2, p. 107-114https://doi.org/10.5599/admet.2.2.45cc-by (c) Pallicer Santana, Juan Manuel et al., 2014http://creativecommons.org/licenses/by/3.0/esinfo:eu-repo/semantics/openAccessoai:recercat.cat:2445/1433782026-05-29T05:05:01Z
dc.title.none.fl_str_mv Evaluation of logPo/w values of drugs from some molecular structure calculation software
title Evaluation of logPo/w values of drugs from some molecular structure calculation software
spellingShingle Evaluation of logPo/w values of drugs from some molecular structure calculation software
Pallicer Santana, Juan Manuel
Lipofília
Química farmacèutica
Lipophilicity
Pharmaceutical chemistry
title_short Evaluation of logPo/w values of drugs from some molecular structure calculation software
title_full Evaluation of logPo/w values of drugs from some molecular structure calculation software
title_fullStr Evaluation of logPo/w values of drugs from some molecular structure calculation software
title_full_unstemmed Evaluation of logPo/w values of drugs from some molecular structure calculation software
title_sort Evaluation of logPo/w values of drugs from some molecular structure calculation software
dc.creator.none.fl_str_mv Pallicer Santana, Juan Manuel
Rosés Pascual, Martí
Ràfols Llach, Clara
Bosch, Elisabeth
Pascual, Rosalía
Port, Ariadna
author Pallicer Santana, Juan Manuel
author_facet Pallicer Santana, Juan Manuel
Rosés Pascual, Martí
Ràfols Llach, Clara
Bosch, Elisabeth
Pascual, Rosalía
Port, Ariadna
author_role author
author2 Rosés Pascual, Martí
Ràfols Llach, Clara
Bosch, Elisabeth
Pascual, Rosalía
Port, Ariadna
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Lipofília
Química farmacèutica
Lipophilicity
Pharmaceutical chemistry
topic Lipofília
Química farmacèutica
Lipophilicity
Pharmaceutical chemistry
description The iridium‐catalyzed asymmetric hydrogenation of several N‐sulfonyl allyl amines is reported. All substrates can be easily obtained by the Ir‐catalyzed isomerization of N‐tosylaziridines reported previously. The commercially available threonine‐derived phosphinite (UbaPHOX) iridium complex has been found to be the best catalyst for this catalytic application, affording β‐methyl amines with good to excellent ee values (up to 94%). The synthetic potential of this novel methodology was demonstrated by the formal synthesis of Lorcaserin and LY‐404187.
publishDate 2014
dc.date.none.fl_str_mv 2014
2019
2019
2019
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/143378
url https://hdl.handle.net/2445/143378
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.5599/admet.2.2.45
ADMET & DMPK, 2014, vol. 2, num. 2, p. 107-114
https://doi.org/10.5599/admet.2.2.45
dc.rights.none.fl_str_mv cc-by (c) Pallicer Santana, Juan Manuel et al., 2014
http://creativecommons.org/licenses/by/3.0/es
info:eu-repo/semantics/openAccess
rights_invalid_str_mv cc-by (c) Pallicer Santana, Juan Manuel et al., 2014
http://creativecommons.org/licenses/by/3.0/es
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 8 p.
application/pdf
application/pdf
dc.publisher.none.fl_str_mv IAPC Publishing
publisher.none.fl_str_mv IAPC Publishing
dc.source.none.fl_str_mv Articles publicats en revistes (Enginyeria Química i Química Analítica)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869415761194254336
score 15.811543

Similares en LA Referencia