CHEBI:90948 - osimertinib mesylate

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ChEBI Name osimertinib mesylate
ChEBI ID CHEBI:90948
Definition A methanesulfonate (mesylate) salt prepared from equimolar amounts of osimertinib and methanesulfonic acid. Used for treatment of EGFR T790M mutation positive non-small cell lung cancer.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H37N7O5S
Net Charge 0
Average Mass 595.715
Monoisotopic Mass 595.25769
InChI InChI=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)
InChIKey FUKSNUHSJBTCFJ-UHFFFAOYSA-N
SMILES CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2.CS(O)(=O)=O
Roles Classification
Biological Role(s): epidermal growth factor receptor antagonist
An antagonist at the epidermal growth factor receptor.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
AZD9291 mesylate DrugCentral
osimertinib mesilate DrugCentral
osimertinib mesylate DrugCentral
osimertinib methanesulfonate ChEBI
osimertinib monomesylate ChEBI
Brand Name Source
Tagrisso DrugCentral
Manual Xref Database
D10766 KEGG DRUG
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Registry Numbers Types Sources
1421373-66-1 CAS Registry Number ChemIDplus
23334374 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
26515464 PubMed citation Europe PMC
26620497 PubMed citation Europe PMC
26720284 PubMed citation Europe PMC
26720671 PubMed citation Europe PMC
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27641462 PubMed citation Europe PMC
27660466 PubMed citation Europe PMC
27923840 PubMed citation Europe PMC
28710746 PubMed citation Europe PMC
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29998228 PubMed citation Europe PMC
30073261 PubMed citation Europe PMC
Last Modified
28 September 2018