NT-113

• CAT Number: I013234
• CAS Number: 1398833-56-1
• Molecular Formula: C₂₇H₂₅ClFN₅O₂
• Molecular Weight: 505.97
• Purity: ≥95%
• Target: EGFR
• Solubility: DMSO
• IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]ethynyl]quinazolin-6-yl]-4-(dimethylamino)but-2-enamide
• InChI: InChI=1S/C27H25ClFN5O2/c1-34(2)9-3-4-26(35)33-24-12-19-25(10-16(24)5-7-18-20-13-36-14-21(18)20)30-15-31-27(19)32-17-6-8-23(29)22(28)11-17/h3-4,6,8,10-12,15,18,20-21H,9,13-14H2,1-2H3,(H,33,35)(H,30,31,32)/b4-3+/t18?,20-,21+
• InChIKey: NQSNDWQDQPMUOC-DWJJLMPSSA-N
• SMILES: CN(C)CC=CC(=O)NC1=CC2=C(C=C1C#CC3C4C3COC4)N=CN=C2NC5=CC(=C(C=C5)F)Cl

NT-113 is an irreversible pan-ERBB inhibitor, with IC50s of 0.4, 4.35, 4.18 and 2.08 nM for EGFR, EGFRT790M, ERBB2/HER2 and ERBB4/HER4, respectively, exhibiting anti-glioma activities.

Reference

[1]. Yoshida Y, et al. NT113, a pan-ERBB inhibitor with high brain penetrance, inhibits the growth of glioblastoma xenografts with EGFR amplification. Mol Cancer Ther. 2014 Dec;13(12):2919-29