| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Monoethyl itaconate does not have a defined biological target. It is a derivative of itaconic acid, which is a metabolite produced by activated macrophages and has immunomodulatory properties. Itaconate derivatives are known to inhibit the enzyme succinate dehydrogenase (SDH) and activate the transcription factor Nrf2, leading to anti-inflammatory effects.
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|---|---|
| ln Vitro |
In vitro, monoethyl itaconate is used in research to study the immunomodulatory effects of itaconate derivatives. It may be tested for its ability to inhibit SDH activity or activate Nrf2 in cell-based assays. It is a biochemical reagent used in metabolic and immunological research.
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| ln Vivo |
Monoethyl itaconate is not a pharmacologically approved drug. It is a research compound used to study the biological functions of itaconate. It has not been evaluated in clinical trials.
|
| Enzyme Assay |
In vitro assays for monoethyl itaconate typically involve metabolic and immunological studies. A standard protocol for SDH inhibition involves incubating the enzyme with the compound and measuring enzyme activity. For Nrf2 activation, cells are treated with the compound, and Nrf2 target gene expression is measured.
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| Cell Assay |
In vitro cell culture experiments with monoethyl itaconate typically involve macrophages or other immune cells. Cells are cultured in appropriate media and treated with the compound at concentrations ranging from 1-100 µM for 24 hours. SDH activity, Nrf2 activation, and cytokine production are measured.
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| Animal Protocol |
In vivo animal studies with monoethyl itaconate are not well documented. It is used primarily as a research compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of monoethyl itaconate are not characterized, as it is not a drug substance. The compound is not intended for human exposure.
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| Toxicity/Toxicokinetics |
Monoethyl itaconate may cause skin and eye irritation. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves, safety glasses, and working in a fume hood.
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| References | |
| Additional Infomation |
Monoethyl itaconate is a dicarboxylic acid derivative used in research on metabolism and immunology. It has not undergone clinical trials and is not approved as a pharmaceutical.
|
| Molecular Formula |
C7H10O4
|
|---|---|
| Molecular Weight |
158.15
|
| Exact Mass |
158.058
|
| CAS # |
57718-07-7
|
| PubChem CID |
533740
|
| Appearance |
White to off-white solid powder
|
| Density |
1.153g/cm3
|
| Boiling Point |
153ºC / 12mmHg
|
| Melting Point |
56ºC
|
| Flash Point |
122.5ºC
|
| Index of Refraction |
1.457
|
| LogP |
0.58
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
11
|
| Complexity |
183
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCOC(=O)CC(=C)C(=O)O
|
| InChi Key |
RTTAGBVNSDJDTE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H10O4/c1-3-11-6(8)4-5(2)7(9)10/h2-4H2,1H3,(H,9,10)
|
| Chemical Name |
4-ethoxy-2-methylidene-4-oxobutanoic acid
|
| Synonyms |
57718-07-7; Monoethyl Itaconate; beta-Monoethyl itaconate; 4-ethoxy-2-methylene-4-oxobutanoic acid; 4-ethoxy-2-methylidene-4-oxobutanoic acid; Itaconic acid ethyl ester; Butanedioic acid, methylene-, 4-ethyl ester; MFCD00059138;
|
| 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) |
DMSO: 100 mg/mL (632.31 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.81 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.3231 mL | 31.6156 mL | 63.2311 mL | |
| 5 mM | 1.2646 mL | 6.3231 mL | 12.6462 mL | |
| 10 mM | 0.6323 mL | 3.1616 mL | 6.3231 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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