| Identification | Back Directory | [Name]
BAY-598(S-isomer) | [CAS]
1906919-67-2 | [Synonyms]
BAY-598
CPD1616
CS-2678
(S)-BAY-598
BAY-598
(BAY598
BAY-598(S-isomer)
(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
N-[(4S)-1-[(Cyanoamino)[[3-(difluoromethoxy)phenyl]imino]methyl]-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- | [Molecular Formula]
C22H20Cl2F2N6O3 | [MDL Number]
MFCD31726166 | [MOL File]
1906919-67-2.mol | [Molecular Weight]
525.34 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 | [IC 50]
SMYD2 | [storage]
Store at -20°C |
|
| Company Name: |
BOC Sciences
|
| Tel: |
1-631-485-4226; 16314854226 |
| Website: |
https://www.bocsci.com |
| Company Name: |
Sigma-Aldrich
|
| Tel: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
|