| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
MEK (MAP kinase kinase, also known as MEK1/2).
|
|---|---|
| ln Vitro |
MEK Inhibitor I is a selective and potent inhibitor of MEK. It has little activity towards MKK3 and MKK4. The compound shows significant affinity for ATP-bound MEK (i.e., non-competitive with ATP) and non-competitive inhibition of ERK. It prevents mouse ear edema. The compound induces cell death in chronic lymphocytic leukemia cells.
|
| ln Vivo |
MEK Inhibitor I prevents mouse ear edema in vivo. It induces cell death in chronic lymphocytic leukemia cells and synergizes with fludarabine. The compound has been used to study MAP kinase pathways in disease-relevant cell models. It activates PAK-MEK signaling in Plasmodium-infected erythrocytes.
|
| Enzyme Assay |
In vitro kinase assays measure MEK inhibition using recombinant MEK1 or MEK2 enzyme and ERK as substrate. MEK Inhibitor I is incubated with MEK, ATP, and ERK at varying concentrations (typically 0.1 nM to 100 µM). ERK phosphorylation is measured by Western blot or using a kinase activity assay with labeled ATP. IC50 values are calculated from dose-response curves. Selectivity is assessed against MKK3, MKK4, and other kinases.
|
| Cell Assay |
Cellular assays are performed using various cancer cell lines (e.g., chronic lymphocytic leukemia cells, BRAF mutant cells). Cells are treated with MEK Inhibitor I at concentrations ranging from 0.01-100 µM for 24-72 hours. ERK phosphorylation is measured by Western blot or phospho-flow cytometry. Cell viability is assessed using MTT or CellTiter-Glo assays. Apoptosis is measured by Annexin V/PI staining and caspase-3/7 activity. Cell cycle analysis is performed by propidium iodide staining.
|
| Animal Protocol |
In vivo efficacy is evaluated in mouse models of inflammation (e.g., ear edema model) or cancer xenografts. MEK Inhibitor I is administered orally or intraperitoneally at doses ranging from 1-50 mg/kg. Ear thickness is measured in inflammation models. Tumor volume is measured by caliper in xenograft models. Pharmacodynamic markers (p-ERK levels) are measured in tissues. Body weight and clinical signs are monitored for tolerability.
|
| ADME/Pharmacokinetics |
MEK Inhibitor I has a molecular weight of 374.46 g/mol and molecular formula C21H18N4OS. CAS number: 297744-42-4. Purity ≥95%. Cell-permeable. Store as a powder at -20°C. Soluble in DMSO. The compound is stable for up to 2 years when stored desiccated at -20°C. For in vivo use, formulate in suitable vehicle.
|
| Toxicity/Toxicokinetics |
No detailed toxicity data is publicly available for MEK Inhibitor I. As a research compound, it is not intended for human use and has not undergone formal toxicological evaluation. Standard preclinical safety assessments would include selectivity profiling against a panel of kinases, hERG channel inhibition for cardiac safety, and CYP450 enzyme inhibition for drug-drug interaction potential. The compound is for research use only.
|
| References | |
| Additional Infomation |
Inhibit MEK kinases 1 and 2
MEK Inhibitor I is a research-grade MEK inhibitor that is superior to U0126 in potency, solubility, and stability. It is not approved for clinical use. References include Wityak et al. (2004) and Wilkinson et al. (2008). The compound is a vinylogous cyanamide. It is supplied as a powder with high purity and should be stored desiccated at -20°C. It is a valuable tool for studying the MAP kinase pathway. |
| Molecular Formula |
C21H18N4OS
|
|---|---|
| Molecular Weight |
374.458822727203
|
| Exact Mass |
374.12
|
| CAS # |
297744-42-4
|
| PubChem CID |
9951490
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.4±0.1 g/cm3
|
| Boiling Point |
671.9±55.0 °C at 760 mmHg
|
| Flash Point |
360.2±31.5 °C
|
| Vapour Pressure |
0.0±2.2 mmHg at 25°C
|
| Index of Refraction |
1.727
|
| LogP |
-0.11
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
27
|
| Complexity |
566
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
S(C1C=CC=CC=1N)/C(=C(/C#N)\C1=CC=CC(=C1)C(C1C=CN=CC=1)O)/N
|
| InChi Key |
NHBMKTBZZSJUGA-HEHNFIMWSA-N
|
| InChi Code |
InChI=1S/C21H18N4OS/c22-13-17(21(24)27-19-7-2-1-6-18(19)23)15-4-3-5-16(12-15)20(26)14-8-10-25-11-9-14/h1-12,20,26H,23-24H2/b21-17+
|
| Chemical Name |
(Z)-3-amino-3-(2-aminophenyl)sulfanyl-2-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]prop-2-enenitrile
|
| 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 |
| 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 | 2.6705 mL | 13.3526 mL | 26.7051 mL | |
| 5 mM | 0.5341 mL | 2.6705 mL | 5.3410 mL | |
| 10 mM | 0.2671 mL | 1.3353 mL | 2.6705 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
