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)

pka

13.34±0.10(Predicted)

form 

powder

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