BAY-598(S-isomer)

Synonym(s):(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

CAS NO.：1906919-67-2
Empirical Formula: C22H20Cl2F2N6O3
Molecular Weight: 525.34
MDL number: MFCD31726166
Update Date: 2026-05-28 05:16:00

What is BAY-598(S-isomer)?

The Uses of BAY-598(S-isomer)

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

Properties of BAY-598(S-isomer)

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

Safety information for BAY-598(S-isomer)

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral

Computed Descriptors for BAY-598(S-isomer)

New Products

2-Bromo-4-hydroxypyridine 2-Benzyl-1,1,3,3-tetramethylisoindoline AMINO-O-TOLYL-ACETIC ACID AMINO(2-BROMOPHENYL)ACETIC ACID 6-BROMOTETRAZOLO[1,5-A]PYRIDINE 3-Oxocyclobutanecarboxylic acid 1,3-Diazaspiro[4.5]decane-2,4-dione, 8,8-difluoro- AMINO-(3-FLUORO-PHENYL)-ACETIC ACID Pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, 4,6,7,8-tetrahydro-4-oxo-, sodium salt (1:1), (6S) Obidoxime hydrochloride API Piperazine, 1-(3-methoxyphenyl)-, hydrochloride (1:1) Decanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester 2,4-Dihydroxybenzaldehyde 3-Cyano-4-(2-methylpropoxy)benzenecarbothioamide 1-(2, 4-dichlorophenyl)-N-(2, 4-difluorophenyl)-N isopropyl-5-oxo-1H-1, 2, 4-trizole-4(5H)-carboxamide 2,4-Dihydroxyacetophenone 2-Chloro 5-Fluoro Pyridine Vasicinone 2-Chloroisonicotinic Acid Tween 80 or Polysorbate 80 2-Butyn-1-oL N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine Pirtobrutinib intd. N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide