For research use only. Not for therapeutic Use.
BAY-985(CAT: I017356) is a potent, selective, and orally active dual ATP-competitive inhibitor of TBK1 and IKKε, with IC50 values of 2 nM (TBK1, high ATP) and 30 nM (IKKε). It suppresses downstream signaling by inhibiting IRF3 phosphorylation (cellular IC50 = 74 nM), thereby modulating innate immune and oncogenic pathways. BAY-985 shows limited activity against off-target kinases, including FLT3, RSK4, and DRAK1, at higher nanomolar concentrations. In preclinical cancer models, it displays modest anti-proliferative and antitumor activity, though pharmacokinetics reveal rapid clearance and short half-life. BAY-985 is a valuable research tool for studying TBK1/IKKε signaling, inflammation, and cancer biology.
| CAS Number | 2409479-29-2 |
| Synonyms | 1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one |
| Molecular Formula | C27H30F3N9O |
| Purity | ≥95% |
| IUPAC Name | 1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one |
| InChI | InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1 |
| InChIKey | HZRJHVDNTDBTOZ-QGZVFWFLSA-N |
| SMILES | CC(C1=CC(=NC=C1)NC2=NC3=C(N2)C=C(C=C3)C4=CC(=NC=N4)N(C)C)N5CCN(CC5)C(=O)CC(F)(F)F |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
