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

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RECERCAT Principal > Universitat de Barcelona > Enginyeria Química i Química Analítica > Articles publicats en revistes (Enginyeria Química i Química Analítica) > Visualizar documento

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dc.contributor	Universitat de Barcelona
dc.contributor.author	Pallicer Santana, Juan Manuel
dc.contributor.author	Rosés Pascual, Martí
dc.contributor.author	Ràfols Llach, Clara
dc.contributor.author	Bosch, Elisabeth
dc.contributor.author	Pascual, Rosalía
dc.contributor.author	Port, Ariadna
dc.date	2019-10-28T17:49:39Z
dc.date	2019-10-28T17:49:39Z
dc.date	2014
dc.date	2019-10-28T17:49:39Z
dc.identifier.citation	1848-7718
dc.identifier.citation	643435
dc.identifier.uri	http://hdl.handle.net/2445/143378
dc.format	8 p.
dc.format	application/pdf
dc.language.iso	eng
dc.publisher	IAPC Publishing
dc.relation	Reproducció del document publicat a: https://doi.org/10.5599/admet.2.2.45
dc.relation	ADMET & DMPK, 2014, vol. 2, num. 2, p. 107-114
dc.relation	https://doi.org/10.5599/admet.2.2.45
dc.rights	cc-by (c) Pallicer Santana, Juan Manuel et al., 2014
dc.rights	info:eu-repo/semantics/openAccess
dc.rights	http://creativecommons.org/licenses/by/3.0/es
dc.subject	Lipofília
dc.subject	Química farmacèutica
dc.subject	Lipophilicity
dc.subject	Pharmaceutical chemistry
dc.title	Evaluation of logPo/w values of drugs from some molecular structure calculation software
dc.type	info:eu-repo/semantics/article
dc.type	info:eu-repo/semantics/publishedVersion
dc.description.abstract	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.

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