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CHEBI:91446 - PF-573228

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:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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
6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-3,4-dihydro-1H-quinolin-2-oneChEBI
PF 573228ChEBI
PF573228ChEBI
PF 573,228ChEBI
PF-573,228ChEBI
PF-228LINCS
Manual XrefsDatabases
LSM-1200LINCS
P4NPDBeChem
HMDB0247536HMDB
Registry NumbersSources
CAS:869288-64-2ChEBI
Citations