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| | BAY-598(S-isomer) Basic information |
| Product Name: | BAY-598(S-isomer) | | Synonyms: | BAY-598;CPD1616;CS-2678;N-[(4S)-1-[(Cyanoamino)[[3-(difluoromethoxy)phenyl]imino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide;BAY-598
(BAY598;(S)-BAY-598;(S,E)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide;Acetamide, N-[(4S)-1-[(cyanoamino)[[3-(difluoromethoxy)phenyl]imino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxy- | | CAS: | 1906919-67-2 | | MF: | C22H20Cl2F2N6O3 | | MW: | 525.34 | | EINECS: | | | Product Categories: | | | Mol File: | 1906919-67-2.mol |  |
| | BAY-598(S-isomer) Chemical Properties |
| Boiling point | 663.5±65.0 °C(Predicted) | | density | 1.46±0.1 g/cm3(Predicted) | | storage temp. | 2-8°C | | solubility | DMSO:69.18(Max Conc. mg/mL);131.69(Max Conc. mM)
DMF:30.0(Max Conc. mg/mL);57.11(Max Conc. mM)
Ethanol:30.0(Max Conc. mg/mL);57.11(Max Conc. mM) | | form | powder | | pka | 13.34±0.10(Predicted) | | color | white to beige | | optical activity | [α]/D -85 to -95°, c = 1 in methanol |
| | BAY-598(S-isomer) Usage And Synthesis |
| Uses | BAY-598 is an aminopyrazoline-based novel substrate-competitive inhibitor of protein lysine methyltransferase SMYD2 that serves as potent and selective in vivo probe for SMYD2. | | Biochem/physiol Actions | BAY-598 is a potent, peptide-competitive chemical probe for SET and MYND domain-containing protein 2 (SMYD2), a lysine methyl transferase inhibitor that dimethylates histone H3K36 and methylates histone H3K4. SMYD2 also methylates Lys-370 of p53, leading to decreased DNA-binding activity. SMYD2 is over-expressed in several cancers with poor prognosis. BAY-598 inhibits in vitro methylation of p53K370 with an IC50 value of 27 nM and in cells with an IC50 value < 1 μM. BAY-598 is more than 100-fold selective over other histone methyltransferases and non-epigenetic targets. BAY-598 can be used with in vivo experiments. For full characterization details, please visit the BAY-598 probe summary on the Structural Genomics Consortium (SGC) website.BAY-369 is the negative control for the active probe, BAY-598. To request a sample of the negative control from the SGC, click here.To learn about other SGC chemical probes for epigenetic targets, visit sigma.com/sgc | | storage | Store at -20°C |
| | BAY-598(S-isomer) Preparation Products And Raw materials |
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