BAY 598

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Cat.No. 5991 - BAY 598 | C22H20Cl2F2N6O3 | CAS No. 1906919-67-2
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)
Datasheet
Citations
Reviews
Literature (1)

Biological Activity

Potent and selective competitive inhibitor of SMYD2 lysine methyltransferase (IC50 values are 27 and 58 nM for biochemical and cellular activity assays, respectively). Displays >100-fold selectivity for SMYD2 over a panel of 32 other methyltransferases including SMYD3, SUV420H1, and SUV420H2. Enhances apoptotic responses to doxorubicin (Cat. No. 2252) in cancer cell lines. Decreases p53K370me levels in HEK293 cells. 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

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

Technical Data

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 Data

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

Preparing Stock Solutions

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 1.9 mL 9.52 mL 19.04 mL
5 mM 0.38 mL 1.9 mL 3.81 mL
10 mM 0.19 mL 0.95 mL 1.9 mL
50 mM 0.04 mL 0.19 mL 0.38 mL

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References

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

Eggert et al (2016) 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. 59 4578 PMID: 27075367

Scheer et al (2019) A chemical biology toolbox to study protein methyltransferases and epigenetic signaling. Nat.Commun. 10 19 PMID: 30604761


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Citations for BAY 598

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