ChemicalBook > CAS DataBase List > BAY-985

BAY-985

Product Name: BAY-985
CAS No.: 2409479-29-2
Chemical Name: BAY-985
Synonyms: BAY-985;BAY-985, 10 mM in DMSO;BAY-985,IKK,BAY985,IκB kinase,melanoma,IKKε,TBK1,inhibit,I kappa B kinase,Inhibitor,BAY 985,antitumor;1-Propanone, 1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)-4-pyrimidinyl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]-1-piperazinyl]-3,3,3-trifluoro-;(R)-1-(4-(1-(2-((6-(6-(Dimethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)amino)pyridin-4-yl)ethyl)piperazin-1-yl)-3,3,3-trifluoropropan-1-one
CBNumber: CB55839640
Molecular Formula: C27H30F3N9O
Formula Weight: 553.58
MOL File: 2409479-29-2.mol

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BAY-985 Property

Boiling point:: 753.3±70.0 °C(Predicted)
Density: 1.373±0.06 g/cm3(Predicted)
storage temp.: Store at -20°C
solubility: DMSO: 50 mg/mL (90.32 mM)
form: A solid
pka: 10.06±0.10(Predicted)
color: Light yellow to yellow
InChIKey: HZRJHVDNTDBTOZ-QGZVFWFLSA-N
SMILES: C(N1CCN([C@@H](C2C=CN=C(NC3NC4=CC(C5C=C(N(C)C)N=CN=5)=CC=C4N=3)C=2)C)CC1)(=O)CC(F)(F)F

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

ChemScene

Product number: CS-0112070
Product name: BAY-985
Purity: 99.87%
Packaging: 5mg
Price: $550
Updated: 2021/12/16

ChemScene

Product number: CS-0112070
Product name: BAY-985
Purity: 99.87%
Packaging: 10mg
Price: $880
Updated: 2021/12/16

ChemScene

Product number: CS-0112070
Product name: BAY-985
Purity: 99.87%
Packaging: 50mg
Price: $1950
Updated: 2021/12/16

DC Chemicals

Product number: 012784
Product name: BAY-985
Packaging: 002
Price: $1500
Updated: 2021/12/16

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BAY-985 Chemical Properties,Usage,Production

Uses

BAY-985 is a highly potent, orally active and selective ATP-competitive dual inhibitor of TBK1 and IKKε with IC50s of 2/30 and 2 nM for TBK1 (low/high ATP) and IKKε, respectively. Antitumor efficacy[1].

Biological Activity

BAY-985 is a potent and highly selective TBK1/IKKε inhibitor. It is highly potent against TBK1 (IC50 = 2 nM, low ATP assay; 30 nM, high ATP assay) and IKKε (IC50 = 2 nM) and also in mechanocellular phosphorylation of interferon regulatory factor 3 (pIRF3) assays High potency (IC50 = 74 nM) and anti-proliferative effect on SK-MEL-2 cells (IC50 = 900 nM).

in vitro

BAY-985 inhibits FLT3, RSK4, DRAK1, and ULK1 with IC ₅₀ s of 123, 276, 311, and 7930 nM, respectively.
BAY-985 inhibits the cellular phosphorylation of interferon regulatory factor 3 (IRF3) with an IC ₅₀ of 74 nM.
BAY-985 is active in cellular mechanistic assay and shows anti-proliferative activity in a few cancer cells lines with IC ₅₀ s of 900 and 7260 nM for SK-MEL2 (NRAS and TP53 mutated) and ACHN (CDKN2A mutated) cells, respectively.

Cell Proliferation Assay

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Cell Line:	ACHN and SK-MEL-2 cell lines
Concentration:
Incubation Time:	96 hours
Result:	Inhibited proliferation i n SK-MEL2 and ACHN cells with IC ₅₀ s of 900 and 7260 nM, respectively.

in vivo

BAY-985 (200 mg/kg; po; bid; 111 days) results in weak antitumor efficacy.
BAY-985 shows high clearance (CL _b = 4.0 L/h/kg, ca. 95% hepatic extraction), large volume of distribution at steady state (V _ss =2.9 L/kg) and a short terminal half-life (t _{1 /2} =0.79 h).

Animal Model:	Female NMRI nude mice bearing SK-MEL-2 human melanoma xenograft model
Dosage:	200 mg/kg
Administration:	Applied po; twice daily (bid) continuously 111 days
Result:	Treatment resulted in weak antitumor efficacy with a T/C _{tumor weight} ratio of 0.6. The treatment was well tolerated, with a maximum body weight loss of less than 10%.

target

< td style="border-bottom: 1px dotted #ccc;padding: 5px;"> TBK1
(in high ATP assay)

Target	Value
TBK1 (in low ATP assay)	2 nM
IKKε (Cell-free assay)	2 nM
30 nM
pIRF3 (Cell-free assay)	74 nM

IC 50

TBK1: 2 nM (IC₅₀, low ATP); TBK1: 30 nM (IC₅₀, high ATP); IKKε: 2 nM (IC₅₀)

References

[1] Lefranc J, et al. Discovery of BAY-985, a Highly Selective TBK1/IKKε Inhibitor. J Med Chem. 2020 Jan 10. DOI:10.1021/acs.jmedchem.9b01460

BAY-985 Preparation Products And Raw materials

Raw materials

Preparation Products

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BAY-985 Suppliers

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2409479-29-2, BAY-985Related Search:

BAY1895344 2HCl BAY-2402234 BAY-1125976. BAY-885 BAY 1316957) BAY-1163877 BAY1895344 HCl BAY-1895344 Benzamide, N-[5-(3,5-dicyano-1,4-dihydro-1,2,6-trimethyl-4-pyridinyl)-6-fluoro-7-methyl-1H-indazol-3-yl]-2-ethyl- BAY 2666605 BAY 2416964

BAY-985

1-Propanone, 1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)-4-pyrimidinyl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]-1-piperazinyl]-3,3,3-trifluoro-

BAY-985,IKK,BAY985,IκB kinase,melanoma,IKKε,TBK1,inhibit,I kappa B kinase,Inhibitor,BAY 985,antitumor

(R)-1-(4-(1-(2-((6-(6-(Dimethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)amino)pyridin-4-yl)ethyl)piperazin-1-yl)-3,3,3-trifluoropropan-1-one

BAY-985, 10 mM in DMSO

2409479-29-2

C27H30F3N9O