Afatinib dimaleate - CAS 850140-73-7 (dimaleate)

Afatinib dimaleate is an orally bioavailable dual receptor tyrosine kinase (RTK) inhibitor with potential antineoplastic activity. EGFR/HER2 tyrosine kinase inhibitor BIBW 2992 irreversibly binds to and inhibits human epidermal growth factor receptors 1 and 2 (EGFR-1; HER2), which may result in the inhibition of tumor growth and angiogenesis. EGFR/HER2 are RTKs that belong to the EGFR superfamily; both play major roles in tumor cell proliferation and tumor vascularization and are overexpressed in many cancer cell types. Afatinib is approved in much of the world (including the United States, Canada, the United Kingdom and Australia) for the treatment of metastatic non-small cell lung carcinoma (NSCLC), developed by Boehringer Ingelheim. It acts as an angiokinase inhibitor.

Catalog Number: I001281

CAS Number: 850140-73-7 (dimaleate)

Molecular Formula: C32H33ClFN5O11

Molecular Weight:718.09

Purity: ≥95%

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

Synonym

SynonymsBIBW-2992; BIBW 2992; BIBW2992. Afatinib dimaleate; trade name: Gilotrif, Tomtovok and Tovok.;(S,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide dimaleate

Property

Molecular Formula: C32H33ClFN5O11
Molecular Weight718.09
SolubilitySoluble in DMSO, not in water
Purity≥95%
Storage0 - 4°Cfor short term (days to weeks), or -20 °C for long term (months).

Computed Descriptor

InChIInChI=1S/C24H25ClFN5O3.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0.
InChIKeyUSNRYVNRPYXCSP-JUGPPOIOSA-N
SMILESO=C(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1O[C@@H]4COCC4)/C=C/CN(C)C.O=C(O)/C=CC(O)=O.O=C(O)/C=CC(O)=O