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CHEBI:91446 - PF-573228

Default Structure
ChEBI IDCHEBI:91446
ChEBI NamePF-573228
Stars
DefinitionA quinolone that is 3,4-dihydroquinolin-2(1H)-one substituted by a [4-{[3-(methylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino group at position 6. It is a potent inhibitor of focal adhesion kinase (IC50 = 4 nM).
Last Modified23 July 2024
DownloadsMolfile
FormulaC22H20F3N5O3S
Net Charge0
Average Mass491.495
Monoisotopic Mass491.12390
SMILESCS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
InChIInChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
InChIKeyHESLKTSGTIBHJU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
PF-573228 (CHEBI:91446) has role angiogenesis inhibitor (CHEBI:48422)
PF-573228 (CHEBI:91446) has role antineoplastic agent (CHEBI:35610)
PF-573228 (CHEBI:91446) has role apoptosis inducer (CHEBI:68495)
PF-573228 (CHEBI:91446) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
PF-573228 (CHEBI:91446) is a aminopyrimidine (CHEBI:38338)
PF-573228 (CHEBI:91446) is a benzenes (CHEBI:22712)
PF-573228 (CHEBI:91446) is a organofluorine compound (CHEBI:37143)
PF-573228 (CHEBI:91446) is a quinolone (CHEBI:23765)
PF-573228 (CHEBI:91446) is a secondary amino compound (CHEBI:50995)
PF-573228 (CHEBI:91446) is a sulfone (CHEBI:35850)
IUPAC Name 
6-{[4-{[3-(methylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3,4-dihydroquinolin-2(1H)-one
Synonyms  Source
3,4-dihydro-6-[[4-[[[3-(methylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2(1H)-quinolinoneChEBI
6-[(4-((3-(methanesulfonyl)benzyl)amino)-5-trifluoromethylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-oneChEBI
6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-3,4-dihydro-1H-quinolin-2-oneChEBI
PF 228ChEBI
PF-228LINCS
PF 573,228ChEBI
Manual XrefsDatabases
HMDB0247536HMDB
LSM-1200LINCS
P4NPDBeChem
Registry NumbersSources
CAS:869288-64-2ChEBI
Citations