BAY 598

Name: BAY 598
Brand: Tocris Bioscience
SKU: 5991

Tocris Bioscience, part of Bio-Techne | Catalog # 5991

COA / SDS

Potent and selective SMYD2 inhibitor

Key Product Details

Description:	Potent and selective SMYD2 inhibitor
Chemical Name:	N-[(4S)-1-[(Cyanoamino)[[3-(difluoromethoxy)phenyl]imino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide
Purity:	≥98% (HPLC)
Molecular Weight:	525.34

View Full Technical Details for BAY 598

Technical Data
Citations

Biological Activity for BAY 598

BAY 598 is a potent and selective competitive inhibitor of SMYD2 lysine methyltransferase (IC₅₀ values are 27 and 58 nM for biochemical and cellular activity assays, respectively), which displays >100-fold selectivity for SMYD2 over a panel of 32 other methyltransferases including SMYD3, SUV420H1, and SUV420H2. BAY 598 enhances apoptotic responses to doxorubicin (Cat. No. 2252) in cancer cell lines, and decreases p53K370me levels in HEK293 cells. It also reduces methylation in tumor cells in a mouse xenograft model.

To request the negative control for BAY 598, please fill out the BAY 369 request form on the SGC website.

Licensing Information

This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the BAY 598 probe summary on the SGC website.

Compound Libraries for BAY 598

BAY 598 is also offered as part of the Tocriscreen Epigenetics Library. Find out more about compound libraries available from Tocris.

External Portal Information

Chemicalprobes.org is a portal that offers independent guidance on the selection and/or application of small molecules for research. The use of BAY 598 is reviewed on the chemical probes website.

Technical Data for BAY 598

M. Wt	525.34
Formula	C₂₂H₂₀Cl₂F₂N₆O₃
Storage	Store at -20°C
Purity	≥98% (HPLC)
CAS Number	1906919-67-2
PubChem ID	117072551
InChi Key	OTTJIRVZJJGFTK-SFHVURJKSA-N
Smiles	CCN(C(CO)=O)[C@H]1CN(/C(NC2=CC(OC(F)F)=CC=C2)=N\C#N)N=C1C3=CC(Cl)=C(C=C3)Cl

The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.

Tocris products are intended for laboratory research use only, unless stated otherwise.

Solubility for BAY 598

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
Solubility	DMSO	52.53	100

Preparing Stock Solutions for BAY 598

The following data is based on the product molecular weight 525.34.

Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.90 mL	9.52 mL	19.04 mL
5 mM	0.38 mL	1.90 mL	3.81 mL
10 mM	0.19 mL	0.95 mL	1.90 mL
50 mM	0.04 mL	0.19 mL	0.38 mL

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References for BAY 598

References are publications that support the biological activity of the product.

Scheer A chemical biology toolbox to study protein methyltransferases and epigenetic signaling. Nat.Commun. 2019 PMID: 30604761
Eggert Discovery and characterization of a highly potent and selective aminopyrazoline-based in vivo probe (BAY-598) for the protein lysine methyltransferase SMYD2. J.Med.Chem. 2016 PMID: 27075367