MedKoo Cat#: 122792 | Name: BAY-805
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Description:

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

BAY-805 is a potent and selective USP21 inhibitor. BAY-805 is a non-covalent inhibitor with low nanomolar affinity for USP21 and high selectivity over other DUB targets as well as kinases, proteases, and other common off-targets. Furthermore, surface plasmon resonance (SPR) and cellular thermal shift assays (CETSA) demonstrated high-affinity target engagement of BAY-805, resulting in strong NF-κB activation in a cell-based reporter assay.

Chemical Structure

BAY-805
BAY-805
CAS#2925481-88-3

Theoretical Analysis

MedKoo Cat#: 122792

Name: BAY-805

CAS#: 2925481-88-3

Chemical Formula: C24H28F3N5O2S

Exact Mass: 507.1916

Molecular Weight: 507.58

Elemental Analysis: C, 56.79; H, 5.56; F, 11.23; N, 13.80; O, 6.30; S, 6.32

Price and Availability

Size Price Availability Quantity
50mg USD 950.00 2 Weeks
100mg USD 1,450.00 2 Weeks
200mg USD 2,150.00 2 Weeks
500mg USD 3,650.00 2 Weeks
1g USD 5,650.00 2 Weeks
2g USD 9,450.00 2 Weeks
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Related CAS #
No Data
Synonym
BAY-805; BAY805; BAY 805
IUPAC/Chemical Name
(R)-N-(1-((5-(4-isocyanobenzyl)-1,3,4-thiadiazol-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-(trifluoromethyl)cyclohexane-1-carboxamide
InChi Key
ACSJMFHJVMEIGI-GOSISDBHSA-N
InChi Code
InChI=1S/C24H28F3N5O2S/c1-15(2)13-18(29-21(34)23(24(25,26)27)11-5-4-6-12-23)20(33)30-22-32-31-19(35-22)14-16-7-9-17(28-3)10-8-16/h7-10,15,18H,4-6,11-14H2,1-2H3,(H,29,34)(H,30,32,33)/t18-/m1/s1
SMILES Code
O=C(C1(C(F)(F)F)CCCCC1)N[C@H](CC(C)C)C(NC2=NN=C(S2)CC3=CC=C([N+]#[C-])C=C3)=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 507.58 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1. Discovery and Characterization of BAY-805, a Potent and Selective Inhibitor of Ubiquitin-Specific Protease USP21. Fabian Göricke, Victoria Vu, Leanna Smith, Ulrike Scheib, Raphael Böhm, Namik Akkilic, Gerd Wohlfahrt, Jörg Weiske, Ulf Bömer, Krzysztof Brzezinka, Niels Lindner, Philip Lienau, Stefan Gradl, Hartmut Beck, Peter J. Brown, Vijayaratnam Santhakumar, Masoud Vedadi, Dalia Barsyte-Lovejoy, Cheryl H. Arrowsmith, Norbert Schmees, and Kirstin Petersen. ournal of Medicinal Chemistry Article ASAP DOI: 10.1021/acs.jmedchem.2c01933 https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.2c01933