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CHEBI:90948 - osimertinib mesylate

ChEBI IDCHEBI:90948
ChEBI Nameosimertinib mesylate
Stars
DefinitionA methanesulfonate (mesylate) salt prepared from equimolar amounts of osimertinib and methanesulfonic acid. It is used for treatment of EGFR T790M mutation positive non-small cell lung cancer.
Last Modified14 February 2022
SubmitterSteve
DownloadsMolfile
FormulaC28H33N7O2.CH4O3S
Net Charge0
Average Mass595.726
Monoisotopic Mass595.25769
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.CS(=O)(=O)O
InChIInChI=1S/C28H33N7O2.CH4O3S/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24;1-5(2,3)4/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);1H3,(H,2,3,4)
InChIKeyFUKSNUHSJBTCFJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
epidermal growth factor receptor antagonist  An antagonist at the epidermal growth factor receptor.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
osimertinib mesylate (CHEBI:90948) has part osimertinib(1+) (CHEBI:90949)
osimertinib mesylate (CHEBI:90948) has role antineoplastic agent (CHEBI:35610)
osimertinib mesylate (CHEBI:90948) has role epidermal growth factor receptor antagonist (CHEBI:74440)
osimertinib mesylate (CHEBI:90948) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name 
N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide methanesulfonate
Synonyms  Source
osimertinib methanesulfonateChEBI
osimertinib monomesylateChEBI
osimertinib mesilateDrugCentral
AZD9291 mesylateDrugCentral
osimertinib mesylateDrugCentral
Brand Name  Source
TagrissoDrugCentral
Manual XrefsDatabases
D10766KEGG DRUG
Registry NumbersSources
Reaxys:23334374Reaxys
CAS:1421373-66-1ChemIDplus
Citations