BAY-598 R-isomer

Description: BAY-598 R-isomer is the R-isomer of BAY589, which is used as a reference compound. It is is an inhibitor of lysine N-methyltransferase (SMYD2) and is selective for SMYD2 over protease-activated receptor 1 (PAR1). Target: Others. Smiles: N(C(CO)=O)(CC)[C@H]1C(=NN(C(=NC2=CC(OC(F)F)=CC=C2)NC#N)C1)C3=CC(Cl)=C(Cl)C=C3. References: Eggert E, Hillig RC, Koehr S, Stöckigt D, Weiske J, Barak N, Mowat J, Brumby T, Christ CD, Ter Laak A, Lang T, Fernandez-Montalvan AE, Badock V, Weinmann H, Hartung IV, Barsyte-Lovejoy D, Szewczyk M, Kennedy S, Li F, Vedadi M, Brown PJ, Santhakumar V, Arrowsmith CH, Stellfeld T, Stresemann C. Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2. J Med Chem. 2016 May 26,59(10):4578-600. doi: 10.1021/acs.jmedchem.5b01890. PubMed PMID: 27075367, PubMed Central PMCID: PMC4917279.