A dual inhibitor of TBK1 and IKKε
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BAY-985

Item No. 34234

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)-4-pyrimidinyl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]-1-piperazinyl]-3,3,3-trifluoro-1-propanone
CAS Number
2409479-29-2
Molecular Formula
C27H30F3N9O
Formula Weight
553.6
Purity
≥98%
Formulation (Request formulation change)
A solid
Solubility(Learn about Variance in Solubility)
DMF: 30 mg/mlDMF:PBS (pH 7.2) (1:2): 0.3 mg/mlDMSO: 25 mg/ml
λmax
266, 315 nm
SMILES
CN(C)C1=CC(C2=CC=C3C(NC(NC4=CC([C@H](N5CCN(CC5)C(CC(F)(F)F)=O)C)=CC=N4)=N3)=C2)=NC=N1
InChi Code
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
InChi Key
HZRJHVDNTDBTOZ-QGZVFWFLSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    500 µg

    $90

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    1 mg

    $168

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    5 mg

    $653

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    10 mg

    $1,042

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    Product Description

    BAY-985 is a dual inhibitor of TANK-binding kinase 1 (TBK1) and IκB kinase ε (IKKε; IC50 = 2 nM for both).1 It is selective for TBK1 and IKKε over FLT3, RSK4, DRAK1, and ULK1 (IC50s = 123, 276, 311, and 7,390 nM, respectively). BAY-985 inhibits phosphorylation of interferon regulatory factor 3 (IRF3) in MDA-MB-231 cells expressing mouse IRF3 (IC50 = 74 nM). It inhibits the proliferation of SK-MEL-2 cells in vitro (IC50 = 900 nM) and reduces tumor weight in an SK-MEL-2 mouse xenograft model when administered at a dose of 200 mg/kg.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Lefranc, J., Schulze, V.K., Hillig, R.C., et al. Discovery of BAY-985, a highly selective TBK1/IKKε inhibitor. J. Med. Chem. 63(2), 601-612 (2020).