mln8054

Description: MLN-8054 (MLN8054), a benzazepine-based compound, is a selective, and ATP-competitive inhibitor of Aurora A kinase (AAK) with potential antitumor activity. It inhibits Aurora A kinase with an IC50 of 4 nM in Sf9 insect cells and shows > 40-fold selectivity for Aurora A over Aurora B. It shows potent in vitro antiproliferative activity and high in vivo antitumor efficacy. MLN8054 was in Phase I clinical trials for advanced solid tumors.

References: Proc Natl Acad Sci U S A. 2007 Mar 6; 104(10):4106-11; Mol Cancer Res. 2010 Mar; 8(3):373-84.

MLN 8054; MLN-8054; MLN8054

Chemical Name: 4-((9-chloro-7-(2, 6-difluorophenyl)-5H-benzo[c]pyrimido[4, 5-e]azepin-2-yl)amino)benzoic acid.

InChi Key: HHFBDROWDBDFBR-UHFFFAOYSA-N

InChi Code: InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10, 12H, 11H2, (H, 33, 34)(H, 30, 31, 32)

SMILES Code: O=C(O)C1=CC=C(NC2=NC=C3C(C4=CC=C(Cl)C=C4C(C5=C(F)C=CC=C5F)=NC3)=N2)C=C1