AV-412 free base is an EGFR inhibitor (IC50s: 0.75, 0.79, 0.5, 2.3, 19 nM for EGFR, EGFR(T790M), EGFR(L858R), EGFR(L858R/T790M) and ErbB2).

 

Brand: BCM

 

Boiling Point: 672.9±55.0 °C(Predicted)

 

pKa: 11.61±0.43(Predicted)

 

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

 

Target Activity: EGFR:0.75 nM, EGFR L858R:0.51 nM, EGFR T790M:0.79 nM, EGFR L858R/T790M:2.3 nM, ErbB2:19 nM

 

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

 

Isomeric SMILES: CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C  

 

InChIKey: ZAJXXUDARPGGOC-UHFFFAOYSA-N  

 

InChI: InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32)

 

Attribute
[Chem Name]	N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide
[Synonym]	AV-412; AV-412 free base; MP-412 free base
[CAS No.]	451492-95-8
[MDL No.]	MFCD16038939
[Formula]	C27H28ClFN6O
[Molecular]	507
[Form]	White to yellow solid powder
[Storage]	Keep in dark place. Inert atmosphere, 2-8°C

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