Afatinib Dimaleate irreversibly inhibits EGFR/HER2, including EGFR(wt), EGFR(L858R), EGFR(L858R/T790M) and HER2, with IC50 of 0.5 nM, 0.4 nM, 10 nM and 14 nM, respectively. The activity was 100 times higher than that of the Gefitinib-resistant L858R-T790M EGFR mutant. Afatinib (BIBW2992) Dimaleate induces autophagy.

 

Brand: BCM

 

Target: EGFR; HER; Autophagy

 

Signaling Pathways: Angiogenesis; Autophagy; JAK/STAT signaling; Tyrosine Kinase/Adaptors

 

Melting Point: >237oC (dec.)

 

In Vitro: In the transplanted tumor model of MDA-MB-453, oral administration of Afatinib (20 mg/kg) down-regulated EGFR and AKT phosphorylation levels and induced tumor regression. In HER2-positive gastric cancer NCI-N87 transplanted tumor model, oral administration of Afatinib (25 mg/kg) eliminated the tumor. In A7, A431, FaDu, UT-SCC-14, and UT-SCC-15 transplanted tumor models, oral administration of Afatinib (30 mg/kg) inhibited tumor growth.

 

Solubility: Soluble in DMSO. Insoluble in Water; insoluble in Ethanol.

 

GHS: GHS07, GHS08

 

Isomeric SMILES: CN(C/C=C/C(=O)NC1=C(C=C2N=CN=C(C2=C1)NC3=CC(=C(C=C3)F)Cl)O[C@@H]4COCC4)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O  

 

InChIKey: USNRYVNRPYXCSP-JUGPPOIOSA-N  

 

InChI: InChI=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../s1

 

Attribute
[Chem Name]	(Z)-but-2-enedioic acid;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
[Synonym]	Afatinib Dimaleate; BIBW2992 Dimaleate
[CAS No.]	850140-73-7
[EINECS]	810-416-1
[MDL No.]	MFCD28969755
[Formula]	C28H29ClFN5O7
[Molecular]	602.02
[Form]	White to pale yellow solid
[Storage]	Keep in dark place. Inert atmosphere. Room temperature

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