BAY-985 free base · Synonyms: BAY 985 · BAY985

BAY-985 is a potent and highly selective TBK1/IKKε inhibitor.

For research use only. Not for human or veterinary use.

Target IKK

Research area Cancer

Purity >98% Stock Inquire

Data Sheet SDS COA

BAY-985 structure

CAS No.: 2409479-29-2

Download structure (.mol)

Pack sizes & pricing

Size	Price	SKU	Stock
250 mg	USD 520.00	BP-02007-250mg	In stock	Get quote
500 mg	USD 850.00	BP-02007-500mg	In stock	Get quote
1 g	USD 1,360.00	BP-02007-1g	In stock	Get quote
5 g	Inquire	BP-02007-5g	Inquire	Inquire

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Description

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).

Biological activity

In Vitro BAY-985 inhibits FLT3, RSK4, DRAK1, and ULK1 with IC50s of 123, 276, 311, and 7930 nM, respectively. BAY-985 inhibits the cellular phosphorylation of interferon regulatory factor 3 (IRF3) with an IC50 of 74 nM. BAY-985 is active in cellular mechanistic assay and shows anti-proliferative activity in a few cancer cell lines with IC50s of 900 and 7260 nM for SK-MEL2 (NRAS and TP53 mutated) and ACHN (CDKN2A mutated) cells, respectively. In Vivo BAY-985 (200 mg/kg; p.o.; b.i.d.; 111 days) results in weak antitumor efficacy. BAY-985 shows high clearance (CLb= 4.0 L/h/kg, ca. 95% hepatic extraction), large volume of distribution at steady state (Vss=2.9 L/kg) and a short terminal half-life (t1/2=0.79 h).

Identifiers

SMILES: O=C(N1CCN([C@@H](C2=CC(NC3=NC4=CC=C(C5=NC=NC(N(C)C)=C5)C=C4N3)=NC=C2)C)CC1)CC(F)(F)F
InChIKey: HZRJHVDNTDBTOZ-QGZVFWFLSA-N

Specifications

MW (average): 553.5820
Formula: C₂₇H₃₀F₃N₉O
CAS No.: 2409479-29-2
Physical state: Solid
Color: light yellow to yellow
Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage: Powder -20℃ 2 years; In solvent -20℃ 1 month;

Solubility

Soluble in DMSO

Documents

References

[1]. Lefranc J, et al. Discovery of BAY-985, a Highly Selective TBK1/IKKε Inhibitor. J Med Chem. 2020 Jan 10.

Same research area

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