Synonym
SHP394; SHP-394; SHP 394;
IUPAC/Chemical Name
6-amino-2-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-((2-(trifluoromethyl)pyridin-3-yl)thio)pyrimidin-4(3H)-one
InChi Key
QZHZIDHAIVAHMD-SMDDNHRTSA-N
InChi Code
InChI=1S/C20H25F3N6O2S/c1-11-14(24)19(10-31-11)5-8-29(9-6-19)18-27-16(25)13(17(30)28(18)2)32-12-4-3-7-26-15(12)20(21,22)23/h3-4,7,11,14H,5-6,8-10,24-25H2,1-2H3/t11-,14+/m0/s1
SMILES Code
O=C1N(C)C(N(CC2)CCC32[C@H](N)[C@H](C)OC3)=NC(N)=C1SC4=CC=CN=C4C(F)(F)F
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
>3 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
Protein tyrosine phosphatase SHP2 is an oncoprotein associated with cancer as well as a potential immune modulator because of its role in the programmed cell death PD-L1/PD-1 pathway.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
470.52
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 |
6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors
Patrick Sarver, Michael Acker, Jeffrey T. Bagdanoff, Zhouliang Chen, Ying-Nan Chen, Homan Chan, Brant Firestone, Michelle Fodor, Jorge Fortanet, Huaixiang Hao, Murphy Hentemann, Mitsunori Kato, Robert Koenig, Laura R. LaBonte, Gang Liu, Shumei Liu, Chen Liu, Eric McNeill, Morvarid Mohseni, Martin Sendzik, Travis Stams, Stan Spence, Victoriano Tamez, Ritesh Tichkule, Christopher Towler, Hongyun Wang, Ping Wang, Sarah L. Williams, Bing Yu, and Matthew J. LaMarche
Publication Date (Web): January 28, 2019 (Article)
DOI: 10.1021/acs.jmedchem.8b01726