BAY-598
Based on 7 publication(s) in Google Scholar
BAY-598, a chemical probe, is selective small molecule inhibitor of SMYD2 with an IC50 of 27 nM.
For research use only. We do not sell to patients.
- Purity: 99.33%
- CAS No.: 1906919-67-2
- Formula: C22H20Cl2F2N6O3
- Molecular Weight:525.34
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Protocol
- Purity & Documentation
- References
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Help & FAQs
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Publications Citing Use of MedChemExpress (MCE) BAY-598
More- Nat Commun. 2026 Feb 12;17(1):1214. [Abstract]
- Pharmacol Res. 2022 Mar:177:106122. [Abstract]
- Cell Death Dis. 2022 Jan 12;13(1):52. [Abstract]
- Acta Pharmacol Sin. 2022 Feb;43(2):457-469. [Abstract]
- Cells. 2022 Apr 8;11(8):1262. [Abstract]
- Heliyon. 2024 May 29;10(11):e32015. [Abstract]
- bioRxiv. 2023 Apr 3.
All Histone Methyltransferase Isoforms
More
Biological Activity
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SMYD2 |
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Cell Line
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Type | Value | Description | References |
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| MDA-MB-231 | IC50 |
60 nM
Compound: (S)-4; BAY-598
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Inhibition of N-terminal 2xc-myc-tagged human SMYD2 transfected in human MDA-MB-231 cells assessed as reduction in AHNAK methylation after 72 hrs by ICW assay
Inhibition of N-terminal 2xc-myc-tagged human SMYD2 transfected in human MDA-MB-231 cells assessed as reduction in AHNAK methylation after 72 hrs by ICW assay
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[PMID: 27075367] |
BAY-598 treatment blocks in vitro methylation of MAPKAPK3 by SMYD2 but has no activity against the SMYD2-related KMT SMYD3. BAY-598 treatment reduces the growth of Kras;p53 mutant PDAC cells after 9 d in culture but has little impact on the growth of Kras;p53;Smyd2 mutant cells[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 1906919-67-2
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Appearance Solid
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Molecular Weight 525.34
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Formula C22H20Cl2F2N6O3
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Color Light yellow to yellow
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SMILES
ClC1=C(Cl)C=CC(C2=NN(/C(NC#N)=N/C3=CC=CC(OC(F)F)=C3)C[C@@H]2N(C(CO)=O)CC)=C1
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Publications (7)
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Journal Impact Factor
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Most Recent
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Nat Commun
Human iPSC-based Modeling of Pulmonary Fibrosis Reveals p300/CBP Inhibition Suppresses Alveolar Transitional Cell State. [Abstract]2026 Feb 12;17(1):1214. PMID: 41680175 -
Pharmacol Res
2022 Mar:177:106122. PMID: 35149187 -
Cell Death Dis
SMYD2 targets RIPK1 and restricts TNF-induced apoptosis and necroptosis to support colon tumor growth. [Abstract]2022 Jan 12;13(1):52. PMID: 35022391 -
Acta Pharmacol Sin
2022 Feb;43(2):457-469. PMID: 33850273 -
Cells
SMYD2 Inhibition Downregulates TMPRSS2 and Decreases SARS-CoV-2 Infection in Human Intestinal and Airway Epithelial Cells. [Abstract]2022 Apr 8;11(8):1262. PMID: 35455942 -
Heliyon
Synergistic anticancer effects of SMYD2 inhibitor BAY-598 and doxorubicin in non-small cell lung cancer. [Abstract]2024 May 29;10(11):e32015. PMID: 38947456 -
Solvent & Solubility
DMSO : 125 mg/mL (237.94 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (3.96 mM); Clear solution
This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Protocol
For SMYD2 inhibition, 10 µL of BAY-598 or DMSO is first incubated with recombinant SMYD2 in methylation buffer reaction for 1 h at 30°C, and then 2 µCi of 3H-AdoMet is added to the mix and incubated overnight at 30°C. The reaction mixture is resolved by SDS-PAGE followed by autoradiography, Coomassie stain, or MS analysis[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Cells are seeded in 96-well plates at 2000 cells per well (optimum density for growth) in a total volume of 100 μL of medium containing 2% fetal bovine serum. Serially diluted BAY-598 in 100 μL of medium is added to the cells 12 h later. After 72 h of incubation, cell viability is assessed by an MTT assay according to the manufacturer's instructions[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Purity & Documentation
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Data Sheet (279 KB)
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SDS (392 KB)
- English - EN (392 KB)
- Français - FR (392 KB)
- Deutsch - DE (392 KB)
- Norwegian - NO (392 KB)
- Español - ES (392 KB)
- Swedish - SV (392 KB)
- Italian - IT (392 KB)
- Korean - KR (392 KB)
- Portuguese - PT (392 KB)
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Handling Instructions (2659 KB)
References
[1]. Reynoird N, et al. Coordination of stress signals by the lysine methyltransferase SMYD2 promotes pancreaticcancer. Genes Dev. 2016 Apr 1;30(7):772-85. [Content Brief]
[2]. Eggert E, et al. 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 May 26;59(10):4578-600. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.9035 mL | 9.5176 mL | 19.0353 mL | 47.5882 mL |
| 5 mM | 0.3807 mL | 1.9035 mL | 3.8071 mL | 9.5176 mL | |
| 10 mM | 0.1904 mL | 0.9518 mL | 1.9035 mL | 4.7588 mL | |
| 15 mM | 0.1269 mL | 0.6345 mL | 1.2690 mL | 3.1725 mL | |
| 20 mM | 0.0952 mL | 0.4759 mL | 0.9518 mL | 2.3794 mL | |
| 25 mM | 0.0761 mL | 0.3807 mL | 0.7614 mL | 1.9035 mL | |
| 30 mM | 0.0635 mL | 0.3173 mL | 0.6345 mL | 1.5863 mL | |
| 40 mM | 0.0476 mL | 0.2379 mL | 0.4759 mL | 1.1897 mL | |
| 50 mM | 0.0381 mL | 0.1904 mL | 0.3807 mL | 0.9518 mL | |
| 60 mM | 0.0317 mL | 0.1586 mL | 0.3173 mL | 0.7931 mL | |
| 80 mM | 0.0238 mL | 0.1190 mL | 0.2379 mL | 0.5949 mL | |
| 100 mM | 0.0190 mL | 0.0952 mL | 0.1904 mL | 0.4759 mL |
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