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MedKoo CAT#: 530922
CAS#: 1622291-66-0
Description: PF-06462894 is a morpholinopyrimidone mGlu5 (mGlu5 Ki = 6 nM). PF-06462894 possessed favorable properties and a predicted low clinical dose (2 mg twice daily). PF-06462894 did not show any evidence of immune activation in a mouse drug allergy model. PF-06462894 had favorable biopharmaceutical properties, affording projected low daily oral doses and a long half-life in humans and was therefore profiled in both rat and NHP studies.
MedKoo Cat#: 530922
Name: PF-06462894
CAS#: 1622291-66-0
Chemical Formula: C18H23N3O3
Exact Mass: 329.1739
Molecular Weight: 329.4
Elemental Analysis: C, 65.63; H, 7.04; N, 12.76; O, 14.57
Synonym: PF-06462894; PF 06462894; PF06462894; PF-6462894; PF 6462894; PF6462894.
IUPAC/Chemical Name: (R)-6-neopentyl-2-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9H)-one
InChi Key: QDIYOEYPJWXMRN-CQSZACIVSA-N
InChi Code: InChI=1S/C18H23N3O3/c1-18(2,3)9-14-11-23-12-15-20-16(8-17(22)21(14)15)24-10-13-6-4-5-7-19-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1
SMILES Code: O=C1C=C(OCC2=NC=CC=C2)N=C3COC[C@@H](CC(C)(C)C)N31
Discovery and Characterization of (R)-6-Neopentyl-2-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9H)-one (PF-06462894), an Alkyne-Lacking Metabotropic Glutamate Receptor 5 Negative Allosteric Modulator Profiled in both Rat and Nonhuman Primates
Antonia F. Stepan, Michelle M. Claffey, Matthew R. Reese, Gayatri Balan, Gabriela Barreiro, Jason Barricklow, Michael J. Bohanon, Brian P. Boscoe, Gregg D. Cappon, Lois K. Chenard, Julie Cianfrogna, Laigao Chen, Karen J. Coffman, Susan E. Drozda, Joshua R. Dunetz, Somraj Ghosh, Xinjun Hou, Christopher Houle, Kapil Karki, John T. Lazzaro, Jessica Y. Mancuso, John M. Marcek, Emily L. Miller, Mark A. Moen, Steven O’Neil, Isao Sakurada, Marc Skaddan, Vinod Parikh, Deborah L. Smith, Patrick Trapa, Jamison B. Tuttle, Patrick R. Verhoest, Daniel P. Walker, Annie Won, Ann S. Wright, Jessica Whritenour, Kenneth Zasadny, Margaret M. Zaleska, Lei Zhang, and Christopher L. Shaffer
Publication Date (Web): August 17, 2017 (Article)
DOI: 10.1021/acs.jmedchem.7b00604