MedKoo Cat#: 530922 | Name: PF-06462894
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

PF-06462894
CAS#1622291-66-0

Theoretical Analysis

MedKoo Cat#: 530922

Name: PF-06462894

CAS#: 1622291-66-0

Chemical Formula: C18H23N3O3

Exact Mass: 329.1739

Molecular Weight: 329.40

Elemental Analysis: C, 65.63; H, 7.04; N, 12.76; O, 14.57

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
25mg USD 900.00 2 Weeks
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Related CAS #
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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
Product Data
Biological target:
PF-06462894 is a morpholinopyrimidone mGlu5 (mGlu5 Ki = 6 nM).
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
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