For research use only. Not for therapeutic Use.
BAY-598 is selective small molecule inhibitor of SMYD2 with an IC50 of 27 nM[1][2].
BAY-598 treatment blocks in vitro methylation of MAPKAPK3 by SMYD2 but has no activity against the SMYD2-related KMT SMYD3. BAY-598 treatment reduces the growth of Kras;p53 mutant PDAC cells after 9 d in culture but has little impact on the growth of Kras;p53;Smyd2 mutant cells[1].
| Catalog Number | I004024 |
| CAS Number | 1906919-67-2 |
| Synonyms | N-[(4S)-2-[N-cyano-N’-[3-(difluoromethoxy)phenyl]carbamimidoyl]-5-(3,4-dichlorophenyl)-3,4-dihydropyrazol-4-yl]-N-ethyl-2-hydroxyacetamide |
| Molecular Formula | C22H20Cl2F2N6O3 |
| Purity | ≥95% |
| InChI | InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1 |
| InChIKey | OTTJIRVZJJGFTK-SFHVURJKSA-N |
| SMILES | CCN(C1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO |
| Reference | [1]. Reynoird N, et al. Coordination of stress signals by the lysine methyltransferase SMYD2 promotes pancreaticcancer. Genes Dev. 2016 Apr 1;30(7):772-85. [2]. Eggert E, et al. 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. |
