| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| 100g |
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| Other Sizes |
| Targets |
Monoethyl fumarate is used as an NRF2 activator. NRF2 (nuclear factor erythroid 2-related factor 2) is a transcription factor that regulates the expression of antioxidant proteins and protects against oxidative damage. The compound is also used as a preservative and polymerization agent.
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| ln Vitro |
In vitro, monoethyl fumarate is used as an NRF2 activator and as a preservative and polymerization agent for polymer materials. The compound is the monoethyl ester form of fumaric acid and is used in various biochemical and materials science applications. It is soluble in water at 25 mg/mL and should be stored at 2-8°C.
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| ln Vivo |
In vivo data for monoethyl fumarate are limited. As an NRF2 activator, it may have potential therapeutic applications in conditions involving oxidative stress. However, the compound is primarily used as a chemical reagent and preservative rather than as a directly administered drug. Specific in vivo pharmacokinetic and pharmacodynamic data are not well-documented in the literature.
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| Enzyme Assay |
For in vitro enzyme/receptor binding studies, monoethyl fumarate is not typically evaluated as a test compound itself. Instead, it serves as a reagent or activator for various applications. The compound's properties include a molecular weight of 144.13 g/mol, a melting point of 67-70°C, and solubility in water (25 mg/mL). As an NRF2 activator, it may be studied in cell-based assays for antioxidant activity.
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| Cell Assay |
For in vitro cell-based experiments, monoethyl fumarate can be evaluated for NRF2 activation and antioxidant activity. Cells are treated with the compound at various concentrations (typically 1-100 μM) for 6-24 hours, and NRF2 target gene expression (e.g., HO-1, NQO1) is measured by qPCR or western blot. The compound's preservative properties may also be evaluated in microbial growth inhibition assays.
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| Animal Protocol |
In vivo animal studies using monoethyl fumarate are limited. As an NRF2 activator, it may be evaluated in animal models of oxidative stress-related diseases. Standard in vivo protocols would involve administration to rodents via oral gavage or intraperitoneal injection, with measurement of NRF2 target gene expression in tissues and assessment of disease outcomes. Specific protocols for this compound are not well-documented.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of monoethyl fumarate are not extensively characterized. The compound has a molecular weight of 144.13 g/mol, which is favorable for oral bioavailability. It is soluble in water at 25 mg/mL. As a monoester of fumaric acid, it may be metabolized to fumaric acid, which is a Krebs cycle intermediate. Empirical pharmacokinetic data (half-life, clearance, bioavailability) are not available in the public literature.
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| Toxicity/Toxicokinetics |
Monoethyl fumarate is a research chemical and should be handled with appropriate laboratory safety precautions. As a carboxylic acid ester, it may cause skin and eye irritation. The compound should be stored at 2-8°C. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| References |
[1]. Ausama Atwan, et al. Oral Fumaric Acid Esters for Psoriasis. Cochrane Database Syst Rev. 2015 Aug 10;2015(8):CD010497.
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| Additional Infomation |
Monoethyl fumarate (CAS 2459-05-4) is primarily a research-grade chemical reagent, not an FDA-approved pharmaceutical drug. Its primary applications are as an effective preservative and polymerization agent for polymer materials and as an NRF2 activator. The compound is the monoethyl ester form of fumaric acid. No clinical trials or approved therapeutic indications exist for this compound. It is intended for laboratory research use only.
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| Molecular Formula |
C6H8O4
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|---|---|
| Molecular Weight |
144.13
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| Exact Mass |
144.042
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| CAS # |
2459-05-4
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| Related CAS # |
55141-86-1 (hydrochloride salt);62008-21-3 (zinc salt);62008-22-4 (calcium salt);76260-93-0 (lithium salt)
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| PubChem CID |
5358902
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
147 ºC (16 mmHg)
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| Melting Point |
64-69 ºC
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| Flash Point |
109.6±16.1 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.469
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| LogP |
0.29
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
10
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| Complexity |
159
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(/C(/[H])=C(\[H])/C(=O)O[H])=O)C([H])([H])C([H])([H])[H]
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| InChi Key |
XLYMOEINVGRTEX-ONEGZZNKSA-N
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| InChi Code |
InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+
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| Chemical Name |
(E)-4-ethoxy-4-oxobut-2-enoic acid
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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 |
| 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: 100 mg/mL (693.82 mM)
H2O: 25 mg/mL (173.45 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.35 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (17.35 mM) (saturation unknown) 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. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (17.35 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.9382 mL | 34.6909 mL | 69.3818 mL | |
| 5 mM | 1.3876 mL | 6.9382 mL | 13.8764 mL | |
| 10 mM | 0.6938 mL | 3.4691 mL | 6.9382 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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