| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 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.
|
| 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.
|
| 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.
|
| 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.
|
| 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.
|
| 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
|
|---|---|
| Molecular Weight |
328.81
|
| Exact Mass |
328.064
|
| CAS # |
1049738-54-6
|
| PubChem CID |
16218944
|
| Appearance |
Off-white to yellow solid powder
|
| LogP |
3.52
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
21
|
| Complexity |
403
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CCN.Cl
|
| InChi Key |
PQVLWVGMXJPJLG-UHFFFAOYSA-N
|
| 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
|
| Chemical Name |
3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
