| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
ERK2 5 μM (Kd)
ERK-IN-4 targets ERK (extracellular signal-regulated kinase), specifically binding preferentially to ERK2 with a Kd of 5 μM. It inhibits downstream signaling by blocking ERK-mediated phosphorylation of substrates such as Rsk-1 and Elk-1. Unlike upstream inhibitors, ERK-IN-4 has little effect on ERK phosphorylation by MEK1/2, indicating it acts downstream of MEK. |
|---|---|
| ln Vitro |
ERK-IN-4 (Compound 76; 10-75 µM; 10 days) totally suppresses cell growth and reduces the amount of cell colonies [1]. ERK-IN-4 (Compound 76; 100 µM) inhibits ERK-mediated Rsk-1 phosphorylation on Thr573 and ERK-mediated Elk-1 phosphorylation in HeLa cells [1].
ERK-IN-4 demonstrates potent in vitro activity as an ERK inhibitor with a Kd of 5 μM for ERK2. It specifically inhibits ERK Rsk-1 and Elk-1 phosphorylation. The compound has little effect on ERK protein phosphorylation by its upstream activator MEK1/2, demonstrating its specificity for downstream ERK activity. It is a cell-permeable compound with potential anti-proliferative effects. |
| ln Vivo |
In vivo activity data for ERK-IN-4 are limited in the available literature. As an ERK inhibitor with potential anti-proliferative effects, it may exhibit antitumor activity in animal models of RAS/RAF-driven cancers. The compound is valuable for investigating resistance mechanisms to upstream MEK or RAF inhibitors and for developing combination therapies. Comprehensive in vivo studies are needed to fully characterize its efficacy and safety.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cell-based) assay for ERK-IN-4 involves assessing its binding affinity to ERK2. Surface plasmon resonance or fluorescence polarization assays are used to measure the binding affinity (Kd = 5 μM). Kinase assays are performed using recombinant ERK2 and substrate peptides (Rsk-1, Elk-1) to assess inhibition of substrate phosphorylation.
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| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: HeLa, A549, or SUM-159 cells Tested Concentrations: 10 µM, 20 µM, 30 µM, 40 µM, 150 µM for A549, or SUM-159 cells; 25 µM, 50 µM, 75 µM for HeLa cells Incubation Duration: 10 days Experimental Results: Completely inhibited cell proliferation. The in vitro cell-based assay for ERK-IN-4 involves treating cells with the compound and measuring ERK-dependent signaling and functional responses. Cells are treated with ERK-IN-4, and phosphorylation of ERK substrates (Rsk-1, Elk-1) is assessed by Western blotting with phospho-specific antibodies. ERK phosphorylation by MEK1/2 is also measured to confirm the compound’s downstream mechanism of action. Cell proliferation assays are performed to evaluate anti-proliferative effects. |
| Animal Protocol |
In vivo animal experiments for ERK-IN-4 are conducted in tumor models to evaluate its antitumor efficacy and potential for combination therapy. Tumor-bearing mice are administered the compound, and tumor growth inhibition is monitored. The compound’s ability to inhibit ERK signaling and overcome resistance to upstream MEK or RAF inhibitors is assessed.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic properties of ERK-IN-4 are not extensively reported. The compound is typically used for research purposes only. Further pharmacokinetic studies are needed to determine its half-life, bioavailability, and tissue distribution. The compound is classified for research use only and is not intended for human therapeutic use.
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| Toxicity/Toxicokinetics |
Toxicological data for ERK-IN-4 are not extensively documented. As a research compound, its safety profile is evaluated in standard cytotoxicity and acute toxicity assays. The compound is classified for research use only and is not intended for human therapeutic use. Comprehensive toxicological characterization would be required prior to any clinical development.
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| References | |
| Additional Infomation |
Erk inhibitor refers to any drug that targets and inhibits the activity of extracellular signal-regulated kinase (ERK).
ERK-IN-4 (CAS 1049738-54-6) is an ERK inhibitor that preferentially binds to ERK2 with a Kd of 5 μM. It specifically inhibits ERK Rsk-1 and Elk-1 phosphorylation and has little effect on ERK phosphorylation by MEK1/2. It is a cell-permeable ERK inhibitor with potential anti-proliferative effects. It is used in cancer research and is not approved for clinical use. |
| Molecular Formula |
C14H17CLN2O3S
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|---|---|
| Molecular Weight |
328.81
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| Exact Mass |
328.064
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| CAS # |
1049738-54-6
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| PubChem CID |
16218944
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| Appearance |
Off-white to yellow solid powder
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| LogP |
3.52
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
21
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| Complexity |
403
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CCN.Cl
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| InChi Key |
PQVLWVGMXJPJLG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H16N2O3S.ClH/c1-2-19-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(18)20-12;/h3-6,9H,2,7-8,15H2,1H3;1H
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| Chemical Name |
3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~25 mg/mL (~76.0 mM; with ultrasonication and warming by heating to 80°C)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.60 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (7.60 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0413 mL | 15.2064 mL | 30.4127 mL | |
| 5 mM | 0.6083 mL | 3.0413 mL | 6.0825 mL | |
| 10 mM | 0.3041 mL | 1.5206 mL | 3.0413 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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