BAY-6035

BAY-6035 is an inhibitor of SET and MYND domain-containing protein 3 (SMYD3). It is 100-fold selective for SMYD3 over other histone methyltransferases. BAY-6035 inhibits methylation of MEKK2 peptide in a cell-free assay and in cells (IC50s = 88 and 70 nM, respectively). See the Structural Genomic Consortium (SGC) website for more information.Formal Name: (2S)-1-(3-azabicyclo[3.1.0]hex-3-ylcarbonyl)-N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-2-methyl-4-oxo-1H-1,5-benzodiazepine-7-carboxamide. CAS Number: 2247890-13-5. Molecular Formula: C22H28N4O3. Formula Weight: 396.5. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: soluble. lambdamax: 273 nm. SMILES: O=C(NCCC1CC1)C2=CC3=C(N(C(N4CC(C5)C5C4)=O)[C@@H](C)CC(N3)=O)C=C2. InChi Code: InChI=1S/C22H28N4O3/c1-13-8-20(27)24-18-10-15(21(28)23-7-6-14-2-3-14)4-5-19(18)26(13)22(29)25-11-16-9-17(16)12-25/h4-5,10,13-14,16-17H,2-3,6-9,11-12H2,1H3,(H,23,28)(H,24,27)/t13-,16?,17?/m0/s1. InChi Key: CKFRXCBNKKOFGO-IGEOTXOUSA-N.