MS023 (hydrochloride)

MS023 is an inhibitor of type I protein arginine methyltransferases (PRMTs, IC50s = 30, 119, 83, 4, and 5 nM for PRMT1, -3, -4, -6, and -8, respectively). It is selective for these type I PRMTs over PRMT5, -7, and -9, as well as a panel of 25 protein lysine methyltransferases (PKMTs) and DNA methyltransferases (DNMTs) when used at a concentration of 10 µM. It inhibits the methylation of histone 4 at arginine 3 (H4R3) in MCF-7 breast cancer cells (IC50 = 9 nM) and H3R2 in HEK293 cells (IC50 = 56 nM). MS023 (20 µM) also inhibits the methylation of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) nucleocapsid protein and the replication of SARS-CoV-2 in Vero E6 cells. It reduces tumor growth in a Huh7 mouse xenograft model when administered at a dose of 160 mg/kg.Formal Name: N1-methyl-N1-[[4-[4-(1-methylethoxy)phenyl]-1H-pyrrol-3-yl]methyl]-1,2-ethanediamine, trihydrochloride. CAS Number: 2108631-19-0. Molecular Formula: C17H25N3O . 3HCl. Formula Weight: 396.8. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, Ethanol: 30 mg/ml, PBS (pH 7.2): 10 mg/ml. lambdamax: 250 nm. SMILES: CC(C)OC1=CC=C(C2=CNC=C2CN(C)CCN)C=C1.Cl.Cl.Cl. InChi Code: InChI=1S/C17H25N3O.3ClH/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18,,,/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3,3*1H. InChi Key: VEUUSCXROKBMMJ-UHFFFAOYSA-N.