BAY-598
SIGMA/SML1603 - ≥98% (HPLC)
Synonym: (S)-N-[1-{N′-Cyano-N-[3-(difluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide
Empirical Formula (Hill Notation): C22H20Cl2F2N6O3
Molecular Weight: 525.34
Linear Formula: C22H20Cl2F2N6O3
Product Type: Chemical
assay | ≥98% (HPLC) |
color | white to beige |
form | powder |
InChI | 1S/C23H21Cl2F2N5O3/c1-2-1 |
InChI key | LOHNYXGTWKNYDF-ZYMOGRSISA |
optical activity | [α]/D -85 to -95°, c = 1 in methanol |
Quality Level | 100 ![]() |
SMILES string | ClC1=C(Cl)C=C(C2=NN(C(NC3 |
solubility | DMSO: 25 mg/mL, clear |
storage temp. | 2-8°C |
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 ![]() ![]() 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 ![]() |
Features and Benefits: | BAY-598 is an epigenetic chemical probe available through a partnership with the Structural Genomics Consortium (SGC). To learn more and view other SGC epigenetic probes, visit sigma.com/SGC ![]() |
Features and Benefits: | This compound is a featured product for Gene Regulation research. Click here ![]() ![]() |
Other Notes: | BAY-598 has been expertly reviewed and recommended by the Chemical Probes Portal. For more information, please visit the BAY-598 probe summary ![]() ![]() |
Packaging: | 5, 25 mg in glass bottle |
Symbol | ![]() |
Signal word | Warning |
Hazard statements | H302 |
Precautionary statements | P301 + P312 + P330 |
RIDADR | NONH for all modes of transport |
WGK Germany | WGK 3 |
Flash Point(F) | Not applicable |
Flash Point(C) | Not applicable |
Purity | ≥98% (HPLC) |
Storage Temp. | 2-8°C |
UNSPSC | 12352200 |