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TitleDiscovery of a Novel Series of Pyrazolo[1,5-a]pyrimidine-Based Phosphodiesterase 2A Inhibitors Structurally Different from N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), for the Treatment of Cognitive Disorders.
Journal, issue, pagesChem. Pharm. Bull., Vol. 65, Page 1058-1077, Year 2017
Publish dateMay 3, 2017 (structure data deposition date)
AuthorsMikami, S. / Kawasaki, M. / Ikeda, S. / Negoro, N. / Nakamura, S. / Nomura, I. / Ashizawa, T. / Kokubo, H. / Hoffman, I.D. / Zou, H. ...Mikami, S. / Kawasaki, M. / Ikeda, S. / Negoro, N. / Nakamura, S. / Nomura, I. / Ashizawa, T. / Kokubo, H. / Hoffman, I.D. / Zou, H. / Oki, H. / Uchiyama, N. / Hiura, Y. / Miyamoto, M. / Itou, Y. / Nakashima, M. / Iwashita, H. / Taniguchi, T.
External linksChem. Pharm. Bull. / PubMed:29093293
MethodsX-ray diffraction
Resolution1.86 Å
Structure data

PDB-5vp1:
Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-9GA:
N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase Inhibitor / Inhibitor / Phosphodiesterase / Brain-Pentrating / Cognitive Disorders / Hydrolase-Hydrolase Inhibitor complex

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