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A public-private partnership that supports the discovery of new medicines through open access research.
MS049 A chemical probe for PRMT4 and PRMT6This probe is available from Sigma, Cayman Chemical and Tocris. The control may be requested by clicking here. For any inquiries please contact proberequests@thesgc.org.group newOverviewThe SGC in collaboration with the Icahn School of Medicine at Mount Sinai has developed MS049, a chemical probe for PRMT4 and PRMT6. MS049 is a potent and selective inhibitor of PRMT4,6 and is active in cells. Data relating to the discovery of this probe is being prepared for publication and its structure will be released on or before Dec 30, 2015. In the meantime, in order to facilitate research by the community we are making this compound available through this website. Properties MS049 Physical and chemical properties for MS049 Molecular weight 248.2 Molecular formula C15H24N2O IUPAC name 1-(2-methylamino-ethyl)-4-(phenyl-methoxy)-piperidine MollogP 1.545 PSA 22.78 No. of chiral centres 0 No. of rotatable bonds 6 No. of hydrogen bond acceptors 3 No. of hydrogen bond donors 1 SMILES: MS049: CNCCN1CCC(CC1)OCc1ccccc1 InChI: MS049: InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3 InChIKey: MS049: HBOJWAYLSJLULG-UHFFFAOYSA-N References Discovery of a Potent, Selective and Cell-active Dual Inhibitor of Protein Arginine Methyltransferase 4 and Protein Arginine Methyltransferase 6, Shen Y, Szewczyk MM, Eram MS, Smil D, Kaniskan HÜ, de Freitas RF, Senisterra G, Li F, Schapira M, Brown PJ, Arrowsmith CH, Barsyte-Lovejoy D, Liu J,Vedadi M, Jin J., J Med Chem. 2016 Sep 1.