| Size | Price | |
|---|---|---|
| Other Sizes |
Purity: ≥98%
| Targets |
Metabolite of insecticide
|
|---|---|
| ln Vitro |
diethyl fumarate, a reputed skin irritant, is much more volatile than malathion and is readily lost by volatilization from cloth and dusts used to control body lice, Pediculus humanus humanus L., the rate of loss was determined. The electron-capture method proved to be operable at the picogram level for diethyl fumarate and in the low nanogram range for malathion [1].
|
| ln Vivo |
The contact urticariagenic properties of diethyl fumarate were studied using the guinea pig ear swelling assay and by open application on the human upper back skin. Diethyl fumarate caused non-immunologic contact urticaria in both human and guinea pig skin, and the reactions exhibited similar dose dependency and timing of maximal response [2].
|
| Toxicity/Toxicokinetics |
Interactions
To investigate the mechanisms of non-immunologic contact urticaria (NICU), the effects of 1g + 1g of acetylsalicylic acid (ASA) on contact reactions to methyl nicotinate, diethyl fumarate, benzoic acid, cinnamic acid, cinnamic aldehyde and dimethyl sulfoxide were studied in 21 test subjects. Erythema and edema reactions were observed visually, and the changes in the skin blood flow were monitored using laser-Doppler flowmetry. ASA had a significant inhibitory effect on erythema from all 6 agents and also on edema from all substances except dimethyl sulfoxide. The mechanism of the effect may be a result of the inhibitory influence of ASA on prostaglandin bioformation. Thus, to avoid false negative test results, non-steroidal anti-inflammatory drugs should not be used during NICU tests. Non-Human Toxicity Values LD50 rat oral 1780 mg/kg |
| References | |
| Additional Infomation |
Diethyl fumarate is a dieter obtained by the formal condensation of fumaric acid with ethanol. It has a role as a metabolite. It is functionally related to a fumaric acid.
See also: Diethyl Maleate (annotation moved to). Drug Warnings Monoethylfumarate exerts true antipsoriatic activities but is by far too toxic for clinical use. Experimental investigations have confirmed an inhibitory action of the above-mentioned fumarate on nucleic acid synthesis and protein synthesis of PHA-stimulated human lymphocytes. |
| Molecular Formula |
C₈H₁₂O₄
|
|---|---|
| Molecular Weight |
172.18
|
| Exact Mass |
172.073
|
| CAS # |
623-91-6
|
| Related CAS # |
26298-06-6
|
| PubChem CID |
638144
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
214.0±0.0 °C at 760 mmHg
|
| Melting Point |
41641ºC
|
| Flash Point |
93.3±0.0 °C
|
| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.443
|
| LogP |
1.68
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
12
|
| Complexity |
164
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C(/C(/[H])=C(\[H])/C(=O)OC([H])([H])C([H])([H])[H])=O)C([H])([H])C([H])([H])[H]
|
| InChi Key |
IEPRKVQEAMIZSS-AATRIKPKSA-N
|
| InChi Code |
InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
|
| Chemical Name |
diethyl (E)-but-2-enedioate
|
| Synonyms |
Diethyl fumarate; Diethyl fumarate
|
| 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 : ~140 mg/mL (~813.10 mM)
H2O : ~3 mg/mL (~17.42 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.5 mg/mL (20.33 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 35.0 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: ≥ 3.5 mg/mL (20.33 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 35.0 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: ≥ 3.5 mg/mL (20.33 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 100 mg/mL (580.79 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.8079 mL | 29.0394 mL | 58.0788 mL | |
| 5 mM | 1.1616 mL | 5.8079 mL | 11.6158 mL | |
| 10 mM | 0.5808 mL | 2.9039 mL | 5.8079 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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