PF-06462894 | CAS#1622291-66-0

PF-06462894
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WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

PF-06462894

CAS# 1622291-66-0

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 530922
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

Price and Availability

Size	Price	Availability
5mg	USD 280	2 Weeks
25mg	USD 720	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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:

Product Data

Instruction:

View handling instruction

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.

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

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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

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PF-06462894 featured