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CHEBI:193597 - ARS-1620

ChEBI IDCHEBI:193597
ChEBI NameARS-1620
Stars
DefinitionA qinazoline derivative carrying chloro and fluoro substituents at positions 6 and 8 respectively, a 2-fluoro-6-hydroxyphenyl group at position 7, and a 4-(prop-2-enoyl)piperazin-1-yl group at position 4. A potent, selective, and orally bioavailable covalent KRAS-G12C inhibitor, it inhibits the protein coding gene KRAS (Kirsten rat sarcoma virus) with high potency in cells and animals.
Last Modified18 October 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H17ClF2N4O2
Net Charge0
Average Mass430.842
Monoisotopic Mass430.10081
SMILESC=CC(=O)N1CCN(c2ncnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1
InChIInChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2
InChIKeyZRPZPNYZFSJUPA-UHFFFAOYSA-N
Roles Classification
Biological Roles:
inhibitor  A substance that diminishes the rate of a chemical reaction.
antiviral agent  A substance that destroys or inhibits replication of viruses.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ARS-1620 (CHEBI:193597) has role antineoplastic agent (CHEBI:35610)
ARS-1620 (CHEBI:193597) has role antiviral agent (CHEBI:22587)
ARS-1620 (CHEBI:193597) has role inhibitor (CHEBI:35222)
ARS-1620 (CHEBI:193597) is a quinazolines (CHEBI:38530)
IUPAC Name 
1-{4-[(7Sa)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one
Synonyms  Source
1-[4-[(7S)-6-chloro-8-fluoro-7-[(1S)-2-fluoro-6-hydroxyphenyl]-4-quinazolinyl]-1-piperazinyl]-2-propen-1-oneChEBI
ARS 1620ChEBI
(S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-onePDBeChem
Manual XrefsDatabases
91SPDBeChem
Citations