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In vitro ADME characterization of a very potent 3-acylamino-2-aminopropionic acid-derived GluN2C-NMDA receptor agonist and its ester prodrugs.
Bechthold, Elena; Grey, Lucie; Diamant, Emil; Schmidt, Judith; Steigerwald, Ruben; Zhao, Fabao; Hansen, Kasper B; Bunch, Lennart; Clausen, Rasmus P; Wünsch, Bernhard.
Afiliación
  • Bechthold E; Westfälische Wilhelms-Universität Münster, GRK 2515, Chemical Biology of Ion Channels (Chembion), Corrensstraße 48, D-48149 Münster, Germany.
  • Grey L; Westfälische Wilhelms-Universität Münster, Institut für Pharmazeutische und Medizinische Chemie, Corrensstraße 48, D-48149 Münster, Germany.
  • Diamant E; Westfälische Wilhelms-Universität Münster, Institut für Pharmazeutische und Medizinische Chemie, Corrensstraße 48, D-48149 Münster, Germany.
  • Schmidt J; Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark.
  • Steigerwald R; Westfälische Wilhelms-Universität Münster, Institut für Pharmazeutische und Medizinische Chemie, Corrensstraße 48, D-48149 Münster, Germany.
  • Zhao F; Westfälische Wilhelms-Universität Münster, GRK 2515, Chemical Biology of Ion Channels (Chembion), Corrensstraße 48, D-48149 Münster, Germany.
  • Hansen KB; Westfälische Wilhelms-Universität Münster, Institut für Pharmazeutische und Medizinische Chemie, Corrensstraße 48, D-48149 Münster, Germany.
  • Bunch L; Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, No. 44, Wenhua West Road, Lixia District, Ji'nan, Shandong, 250012, China.
  • Clausen RP; Center for Structural and Functional Neuroscience, Center for Biomolecular Structure and Dynamics, Division of Biological Sciences, University of Montana, 32 Campus Drive, Missoula, MT 59812, USA.
  • Wünsch B; Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark.
Biol Chem ; 404(4): 255-265, 2023 03 28.
Article en En | MEDLINE | ID: mdl-36427206
The GluN2C subunit exists predominantly, but not exclusively in NMDA receptors within the cerebellum. Antagonists such as UBP1700 and positive allosteric modulators including PYD-106 and 3-acylamino-2-aminopropionic acid derivatives such as UA3-10 ((R)-2-amino-3-{[5-(2-bromophenyl)thiophen-2-yl]carboxamido}propionic acid) represent promising tool compounds to investigate the role of GluN2C-containing NMDA receptors in the signal transduction in the brain. However, due to its high polarity the bioavailability and CNS penetration of the amino acid UA3-10 are expected to be rather low. Herein, three ester prodrugs 12a-c of the NMDA receptor glycine site agonist UA3-10 were prepared and pharmacokinetically characterized. The esters 12a-c showed higher lipophilicity (higher logD 7.4 values) than the acid UA3-10 but almost the same binding at human serum albumin. The acid UA3-10 was rather stable upon incubation with mouse liver microsomes and NADPH, but the esters 12a-c were fast hydrolyzed to afford the acid UA3-10. Incubation with pig liver esterase and mouse serum led to rapid hydrolysis of the esters 12a-c. The isopropyl ester 12c showed a promising logD 7.4 value of 3.57 and the highest stability in the presence of pig liver esterase and mouse serum. These results demonstrate that ester prodrugs of UA3-10 can potentially afford improved bioavailability and CNS penetration.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Profármacos / Receptores de N-Metil-D-Aspartato Límite: Animals / Humans Idioma: En Revista: Biol Chem Asunto de la revista: BIOQUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Alemania

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Profármacos / Receptores de N-Metil-D-Aspartato Límite: Animals / Humans Idioma: En Revista: Biol Chem Asunto de la revista: BIOQUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Alemania