AST-1306 (Allitinib) is an oral active and irreversible inhibitor of EGFR, ErbB2, and ErbB4 with IC50s of 0.5, 3, and 0.8 nM, respectively.

 

Brand: BCM

 

Boiling Point: 655℃

 

Flashing Point: 350℃

 

pKa: 12.16±0.43(Predicted)

 

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

 

Target Activity: EGFR:0.5 nM, EGFRL858R/T790M:12 nM, ErbB4:0.8 nM, ErbB2:3 nM

 

Solubility: Soluble in DMSO, need ultrasonic

 

Isomeric SMILES: C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl  

 

InChIKey: MVZGYPSXNDCANY-UHFFFAOYSA-N  

 

InChI: InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)

 

Attribute
[Chem Name]	N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide
[Synonym]	AST-1306; Allitinib; ALS 1306
[CAS No.]	897383-62-9
[MDL No.]	MFCD17169993
[Formula]	C24H18ClFN4O2
[Molecular]	448.88
[Form]	Solid
[Storage]	Sealed in dry. Store at -20°C

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