For research use only. Not for therapeutic Use.
AST5902 trimesylate is the principal metabolite of Alflutinib (AST2818) both in vitro and in vivo. AST5902 trimesylate exerts antineoplastic activity. Alflutinib is an EGFR inhibitor[1].
| Catalog Number | I044595 |
| CAS Number | 2929417-90-1 |
| Synonyms | methanesulfonic acid;N-[5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[methyl-[2-(methylamino)ethyl]amino]-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]prop-2-enamide |
| Molecular Formula | C30H41F3N8O11S3 |
| Purity | ≥95% |
| InChI | InChI=1S/C27H29F3N8O2.3CH4O3S/c1-5-23(39)33-20-14-21(25(40-16-27(28,29)30)36-24(20)37(3)13-12-31-2)35-26-32-11-10-19(34-26)18-15-38(4)22-9-7-6-8-17(18)22;3*1-5(2,3)4/h5-11,14-15,31H,1,12-13,16H2,2-4H3,(H,33,39)(H,32,34,35);3*1H3,(H,2,3,4) |
| InChIKey | KRCDPFVVSHJNOV-UHFFFAOYSA-N |
| SMILES | CNCCN(C)C1=NC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OCC(F)(F)F.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O |
| Reference | [1]. Xiao-yun Liu, et al. Alflutinib (AST2818), primarily metabolized by CYP3A4, is a potent CYP3A4 inducer. Acta Pharmacol Sin. 2020 Oct; 41(10): 1366-1376. |
