BAY-985

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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 408059

CAS#: 2409479-29-2 (R-isomer)

Description: BAY-985 is a potent and selective TBK1/IKKε Inhibitor. BAY-985 inhibits the cellular phosphorylation of interferon regulatory factor 3 and displays antiproliferative efficacy in the melanoma cell line SK-MEL-2 but showed only weak antitumor activity in the SK-MEL-2 human melanoma xenograft model.


Price and Availability

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Pricing updated 2020-10-26. Prices are subject to change without notice.

BAY-985 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 408059
Name: BAY-985
CAS#: 2409479-29-2 (R-isomer)
Chemical Formula: C27H30F3N9O
Exact Mass: 553.2525
Molecular Weight: 553.5942
Elemental Analysis: C, 58.58; H, 5.46; F, 10.30; N, 22.77; O, 2.89


Related CAS #: 2101925-20-4 (racemic)   2409479-29-2 (R-isomer)    

Synonym: BAY-985; BAY 985; BAY985;

IUPAC/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

InChi Key: HZRJHVDNTDBTOZ-QGZVFWFLSA-N

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

SMILES Code: 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


Technical Data

Appearance:
Solid powder

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

Shipping Condition:
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 Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO

Shelf Life:
>3 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001


Additional Information

The serine/threonine kinase TBK1 (TANK-binding kinase 1) and its homologue IKKε are noncanonical members of the inhibitor of the nuclear factor κB (IκB) kinase family. These kinases play important roles in multiple cellular pathways and, in particular, in inflammation.


References

1: Lefranc J, Schulze VK, Hillig RC, Briem H, Prinz F, Mengel A, Heinrich T,
Balint J, Rengachari S, Irlbacher H, Stöckigt D, Bömer U, Bader B, Gradl SN,
Nising CF, von Nussbaum F, Mumberg D, Panne D, Wengner AM. Discovery of BAY-985,
a Highly Selective TBK1/IKKε Inhibitor. J Med Chem. 2020 Jan 10. doi:
10.1021/acs.jmedchem.9b01460. [Epub ahead of print] PubMed PMID: 31859507.