3,4-Dihydro-6-[[4-[[[3-(methylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2(1H)-quinolinone

Base Information

• Chemical Name: 3,4-Dihydro-6-[[4-[[[3-(methylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2(1H)-quinolinone
• CAS No.: 869288-64-2
• Molecular Formula: C22H20F3N5O3S
• Molecular Weight: 491.492
• European Community (EC) Number: 663-602-8
• ChEMBL ID: CHEMBL514554
• DSSTox Substance ID: DTXSID10469447
• Nikkaji Number: J2.466.074E
• Wikidata: Q27163293
• Mol file: 869288-64-2.mol

Synonyms:6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one;PF 228;PF 573,228;PF 573228;PF-228;PF-573,228;PF-573228;PF228 cpd;PF573,228;PF573228

Chemical Property of 3,4-Dihydro-6-[[4-[[[3-(methylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2(1H)-quinolinone

Chemical Property:

• PKA: 14.30±0.20(Predicted)
• PSA: 121.46000
• Density: 1.459
• LogP: 5.50410
• Storage Temp.: Store at +4°C
• Solubility.: DMSO: ≥20mg/mL
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 491.12389518
• Heavy Atom Count: 34
• Complexity: 822

Purity/Quality:

98%,99%, ^*data from raw suppliers

PF-573228 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=CC(=C1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)CC4
• Description: Focal adhesion kinases (FAKs) are non-receptor tyrosine kinases that play roles in regulating diverse processes, including cell adhesion, spreading, migration, proliferation, and apoptosis. They are overexpressed in many types of cancer. PF-573228 inhibits FAK with IC50 values of 4 and 30-100 nM for a purified recombinant catalytic fragment of FAK and in cultured cells, respectively. It is 50-250-fold selective for FAK over other protein kinases. PF-573228 can inhibit chemotactic and haptotactic migration of cells as well as prevent focal adhesion turnover.
• Uses: A novel focal adhesion kinase inhibitor that has been shown to suppress the adverse phenotype of endocrine-resistant breast cancer cells and improve endocrine response in endocrine-sensitive cells.