ChemicalBook CAS DataBase List 2409479-29-2

2409479-29-2

Name	BAY-985
CAS	2409479-29-2
Molecular Formula	C27H30F3N9O
MDL Number	MFCD32690108
Molecular Weight	553.58
MOL File	2409479-29-2.mol

Chemical Properties

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

Safety Data

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Hazard Information

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

td>

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

Spectrum Detail

Supplier

ShangHai Caerulum Pharma Discovery Co., Ltd.

Telephone15000803246 18149758185

Websitehttp://www.caerulumpharma.com/

Shanghai Topbiochem Technology Co., Ltd

Telephone021-58170097

Websitehttp://www.topbiochem.com

ShangHai Caerulum Pharma Discovery Co., Ltd.

Telephone18149758185 18149758185

Websitehttp://www.caerulumpharma.com

Bide Pharmatech Ltd.

Telephone400-400-164-7117 18317119277

Websitehttp://www.bidepharm.com

Shanghai Lollane Biological Technology Co.,Ltd.

Telephone021-52996696，15000506266 15000506266

Websitehttp://www.bioll.com

Twochem Co.Ltd

Telephone021-021-58111628 15800915896

Websitehttp://www.twochem.com

Shanghai YuanYe Biotechnology Co., Ltd.

Telephone021-61312847; 18021002903

Websitehttp://www.shyuanye.com

Shanghai SuperLan Chemcial Technique Centre

Telephone0-2022843681 15618226720

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList19886/0_EN.htm

Beijing Solarbio Science & Tecnology Co., Ltd.

Telephone010-50973130 18101056239

Websitehttp://www.solarbio.com

Chuzhou KeMail Chemical Technology Co., Ltd

Telephone0550-5196001 15000891977

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList19947/0_EN.htm

Shanghai Changyu Medical Technology Co. Ltd.

Telephone +86-13301875428

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList30836/0_EN.htm

Shijiazhuang Leather Bureau Chemical Technology Co., Ltd.

Telephone 13020863400

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList31175/0_EN.htm

Zhejiang J&C Biological Technology Co.,Limited

Telephone+1-2135480471 +1-2135480471;

Websitehttps://www.sarms4muscle.com

ChemeGen(Shanghai) Biotechnology Co.,Ltd.

Telephone 18818260767

Websitehttp://www.chemegen.com

ShangHai ChuanQian Chemcial Technique Centre

Telephone 15869524721

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList68594/0_EN.htm

Chunchuang (Wuhan) Technology Co., Ltd

Telephone 15727060112

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList1427518/0_EN.htm

cjbscvictory

Telephone13348960310 13348960310

Websitehttps://www.weikeqi-biotech.com/

Nantong Hi-Future Biotechnology Co., Ltd

Telephone 18051384581

Websitehttps://www.chemhifuture.com/

1of4

Related Products

Send Inquriy