Description:
Brigatinib, also known as AP-26113, is an orally active, potent and selective dual ALK/EGFR inhibitor. AP26113 is an orally bioavailable inhibitor of anaplastic lymphoma kinase (ALK; IC50 < 100 nM in Ba/F3 cells). AP26113 binds to and inhibits ALK kinase and ALK fusion proteins as well as EGFR and mutant forms. It blocks ALK activity and reduces growth in neuroblastoma cells, mouse xenograft, and Drosophila model systems harboring constitutively active ALK variants.
- Molecular Weight: 584.10
- Molecular Formula: C29H39ClN7O2P
Purity: ≥98%
Canonical SMILES:
COC1=C(NC2=NC=C(Cl)C(NC3=CC=CC=C3P(C)(C)=O)=N2)C=CC(N4CCC(N5CCN(C)CC5)CC4)=C1
InChI:
InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
InChIKey: AILRADAXUVEEIR-UHFFFAOYSA-N
Synonyms:
AP26113
More details are to be found on supplier website
