Osimertinib mesylate (CED0002308)

Record Information
Version1.0
Creation Date2026-04-05 13:54:38 UTC
Update Date2026-08-22 08:27:16 UTC
Accession NumberCHEM103381
Identification
Common NameOsimertinib mesylate
ClassSmall Molecule
Description
Osimertinib mesylate is an organic compound with the formula C28H33N7O2 and an average molecular weight of 499.62 g/mol. Osimertinib mesylate belongs to the n-alkylindoles, a subclass of indoles and derivatives within the organic compounds. In terms of biological activity, the compound acts as an inhibitor and regulator of the Epidermal growth factor receptor (EGFR). The substance is found in or released from two recorded sources: electric hearing aids (Electrical & Electronic Equipment) and antineoplastic agents (Healthcare, pharmaceuticals & veterinary products). The recorded route of exposure for this compound is oral.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC28H33N7O2
Average Molecular Mass499.619 g/mol
Monoisotopic Mass499.270 g/mol
CAS Registry Number1421373-65-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C
InChI IdentifierInChI=1S/C28H33N7O2/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/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
InChI KeyDUYJMQONPNNFPI-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0a4i-9001700000-c5b46a38e5384dc20926Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f97-1002930000-112e8976563a909d4023Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dj-9107700000-b618ee5c93448c519fc3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-3092100000-39d91ae9784058379949Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-1000900000-439c32ec02256a4bf697Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-008a-3231900000-6bfe0b605a3a0609a4beNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05fr-9284500000-e5498f9194af3fbca017Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0000940000-da8877befa930469684bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fft-1008920000-1b4883898beb6b5c90c8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-8019600000-bfb86bff25cc39d16e3dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0002900000-7f6101bfaaaad1a1914bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01r2-1002900000-c0e6365e7f19e2de2135Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01ow-2003900000-9bd76cc1653ce7271a8bNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1162.0Log mg/kg[650:2100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
358Antineoplastic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
Pathways
1 pathway
Osimertinib Drug Metabolism Action Pathway
Osimertinib Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)4.35956
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)4.35956
ALK tyrosine kinase receptor structureClick to view 3D structureALK tyrosine kinase receptorQ9UM73HumansPredicted (SEA)18.6838
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)42.4278
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)42.1943
Insulin receptor structureClick to view 3D structureInsulin receptorP06213HumansPredicted (SEA)31.7625
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)38.6911
Activated CDC42 kinase 1 structureClick to view 3D structureActivated CDC42 kinase 1Q07912HumansPredicted (SEA)17.7496
Tyrosine-protein kinase Tec structureClick to view 3D structureTyrosine-protein kinase TecP42680HumansPredicted (SEA)32.3853
Receptor tyrosine-protein kinase erbB-3 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-3P21860HumansPredicted (SEA)10.7432
Focal adhesion kinase 1 structureClick to view 3D structureFocal adhesion kinase 1Q05397HumansPredicted (SEA)69.4415
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)103.695
Click to view 3D structureCysteine--tRNA ligase, cytoplasmicP49589HumansPredicted (SEA)0.0778492
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma structureClick to view 3D structurePhosphatidylinositol 5-phosphate 4-kinase type-2 gammaQ8TBX8HumansPredicted (SEA)13.0787
Ribosyldihydronicotinamide dehydrogenase [quinone] structureClick to view 3D structureRibosyldihydronicotinamide dehydrogenase [quinone]P16083HumansPredicted (SEA)2.49118
Click to view 3D structureEpidermal growth factor receptorQ01279Mus musculusPredicted (SEA)15.8812
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansPredicted (SEA)176.173
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)254.411
Lysine-specific histone demethylase 1A structureClick to view 3D structureLysine-specific histone demethylase 1AO60341HumansPredicted (SEA)9.49761
Click to view 3D structureTyrosine-protein kinase BlkP51451HumansPredicted (SEA)177.185
Tyrosine-protein kinase JAK1 structureClick to view 3D structureTyrosine-protein kinase JAK1P23458HumansPredicted (SEA)158.034
Proto-oncogene tyrosine-protein kinase ROS structureClick to view 3D structureProto-oncogene tyrosine-protein kinase ROSP08922HumansPredicted (SEA)135.302
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)385.743
Receptor tyrosine-protein kinase erbB-4 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-4Q15303HumansPredicted (SEA)216.343
Non-receptor tyrosine-protein kinase TYK2 structureClick to view 3D structureNon-receptor tyrosine-protein kinase TYK2P29597HumansPredicted (SEA)283.916
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available