SML2748

BAY-850 trihydrochloride

≥98% (HPLC)

• Synonym(s): N-((R)-1-((1s,4S)-4-Aminocyclohexylamino)-3-(4-cyanophenyl)propan-2-yl)-2-chloro-4-methoxy-5-(5-(((R)-1-p-tolylethylamino)methyl)furan-2-yl)benzamide trihydrochloride, N-[(2R)-1-[(4-Aminocyclohexyl)amino]-3-(4-cyanophenyl)propan-2-yl]-2-chloro-4-methoxy-5-[5-({[(1R)-1-(4-methylphenyl)ethyl]amino}methyl)-2-furyl]benzamide trihydrochloride
• Empirical Formula (Hill Notation): C₃₈H₄₄ClN₅O₃ · 3HCl
• CAS Number: 2099142-76-2
• Molecular Weight: 763.62
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: white to beige
• solubility: H₂O: 2 mg/mL, clear
• storage temp.: 2-8°C

Description

Biochem/physiol Actions

BAY-850 is a chemical probe that targets ATPase family AAA domain-containing protein 2 (ATAD2) bromodomain (BD) with submicromolar affinity (K_d of 84.9 nM by MST and 120 nM by BROMOscan) and high selectivity over all other bromodomains tested (no BROMOscan hits at 10 μM). BAY-850 blocks ATAD2 BD from binding acetylated H4 peptide in cell-free assays (IC₅₀ of 20 nM) and displaces full-length ATAD2 from chromatin in live cells (effctive conc. 1 μM by HTRF). To avoid potential unspecific off-target effects, concentrations above 5 μM are not recommended. BAY-460 is a companion control compound with strongly reduced ATAD2 inhibitory potency (IC₅₀ = 16 μM by cell-based HTRF assay; no activity at 10 μM by BROMOscan).

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3