BAY-985

BAY-985 is a potent and highly selective TBK1/IKKε inhibitor. BAY-985 shows high potency toward TBK1 (IC50 = 2 nM, low ATP assay; 30 nM, high ATP assay) and IKKε(IC50 = 2 nM), as well as high potency in the mechanistic pIRF3 assay (IC50 = 74 nM), and an antiproliferative effect on SK-MEL-2 cells (IC50 = 900 nM).

Product information

CAS Number: 2409479-29-2

Molecular Weight: 553.58

Formula: C27H30F3N9O

Chemical 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

Smiles: CN(C)C1=CC(=NC=N1)C1=CC2NC(NC3=CC(=CC=N3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)=NC=2C=C1

InChiKey: HZRJHVDNTDBTOZ-QGZVFWFLSA-N

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

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO 100 mg/mL (180.64 mM)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

BAY-985 is a potent and highly selective TBK1/IKKε inhibitor that inhibits the cellular phosphorylation of interferon regulatory factor 3 and displays antiproliferative efficacy in the melanoma cell line SK-MEL-2.

In Vivo:

BAY-985 shows only weak antitumor activity in the SK-MEL-2 human melanoma xenograft model.

References:

1. Lefranc J, et al. J Med Chem. 2020 Jan 23;63(2):601-612.

Products are for research use only. Not for human use.