EGFR/HER2-IN-9

• CAT Number: I041701
• CAS Number: 1637253-79-2
• Molecular Formula: C25H25ClFN5O4
• Molecular Weight: 513.95
• Purity: ≥95%
• Synonyms: (E)-4-[(4aR,7aS)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]but-2-enamide
• InChI: InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23+
• InChIKey: REGOTSLWVKSZRG-GYQWKJCYSA-N
• SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CC5C(C4)OCCO5

EGFR/HER2-IN-9 (Compound 1) is an EGFR and HER2 inhibitor with IC50s of 3.2, 8.3 and 14 nM against EGFR, EGFR T790M and HER2, respectively[1].

Reference

[1]. Yingjun Zhang, et al. Amino quinazoline derivatives as well as salts and application method thereof. Patent CN104119350A.