BAY-850

BAY-850 is an inhibitor of the ATPase family AAA domain-containing protein 2 (ATAD2, IC50 = 22 nM in a time-resolved FRET assay using a tetra-acetylated histone H4 peptide). It is selective for ATAD2 over a panel of 32 bromodomain family proteins, including ATAD2B, a panel of 354 kinases, and a panel of 25 G protein-coupled receptors (GPCRs) at 1 µM. BAY-850 induces dimerization of ATAD2 in a concentration-dependent manner in a cell-free assay and inhibits the ATAD2-chromatin interaction in MCF-7 breast cancer cells in a fluorescence recovery after photobleaching (FRAP) assay. It induces apoptosis and cell cycle arrest in, and inhibits proliferation, invasion, and migration of, PA-1 and SKOV3 ovarian cancer cells when used at a concentration of 5 µM. BAY-850 (20 mg/kg) reduces tumor volume and the percentage of lung metastases in a SKOV3 mouse xenograft model. See the Structural Genomics Consortium (SGC) website for more information.Formal Name: N-[(1R)-2-[(cis-4-aminocyclohexyl)amino]-1-[(4-cyanophenyl)methyl]ethyl]-2-chloro-4-methoxy-5-[5-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-2-furanyl]-benzamide. CAS Number: 2099142-76-2. Molecular Formula: C38H44ClN5O3. Formula Weight: 654.2. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: Acetonitrile: Slightly soluble: 0.1-1 mg/ml, DMSO: Sparingly soluble: 1-10 mg/ml. SMILES: COC1=C(C2=CC=C(CN[C@H](C)C3=CC=C(C)C=C3)O2)C=C(C(N[C@@H](CN[C@H]4CC[C@@H](N)CC4)CC5=CC=C(C#N)C=C5)=O)C(Cl)=C1. InChi Code: InChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29-,30+,31-/m1/s1. InChi Key: BSISGUIVBKDTQO-QIKYYPRYSA-N.