Afatinib - CAS 850140-72-6

Afatinib (Cat.No:I005096) is a tyrosine kinase inhibitor used to treat metastatic non-small cell lung cancer with certain mutations of the epidermal growth factor receptor (EGFR). It works by blocking signals that promote cancer cell growth and division. 

Catalog Number: I005096

CAS Number: 850140-72-6

PubChem Substance ID:355143034

Molecular Formula: C24H25ClFN5O3

Molecular Weight:485.94

Purity: ≥95%

* For research use only. Not for human or veterinary use.


Property

Molecular Formula: C24H25ClFN5O3
Molecular Weight485.94
Target:EGFR;EGFR mutant forms; HER2
Solubility10 mM in DMSO
Purity≥95%
StorageStore at -20°C
IC500.5 nM/0.4 nM/10 nM/14 nM (EGFR(wt)/EGFR(L858R)/EGFR(L858R/T790M) /HER2) [1]

Computed Descriptor

IUPAC Name(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
InChIInChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
InChIKeyULXXDDBFHOBEHA-CWDCEQMOSA-N
SMILESCN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4