WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H530922
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.
Hodoodo Cat#: H530922
Name: PF-06462894
CAS#: 1622291-66-0
Chemical Formula: C18H23N3O3
Exact Mass: 329.17
Molecular Weight: 329.400
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
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 329.40 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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