| 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 mechanism of non-immune contact urticaria (NICU), this study examined the effects of 1 g + 1 g acetylsalicylic acid (ASA) on contact reactions to methyl nicotinic acid, diethyl fumarate, benzoic acid, cinnamic acid, cinnamaldehyde, and dimethyl sulfoxide in 21 subjects. Erythema and edema were observed visually, and skin blood flow was monitored using laser Doppler flowmetry. ASA significantly inhibited erythema induced by the above six substances and edema induced by all substances except dimethyl sulfoxide. Its mechanism of action may be the inhibition of prostaglandin biosynthesis by ASA. Therefore, to avoid false negative results, nonsteroidal anti-inflammatory drugs (NSAIDs) should not be used during testing in the neonatal intensive care unit (NICU). Non-human Toxicity Oral LD50 in rats: 1780 mg/kg |
| References | |
| Additional Infomation |
Diethyl fumarate is a weight-loss drug formed by the condensation of fumaric acid and ethanol. It is a metabolite functionally related to fumaric acid.
See also: Diethyl maleate (note moved here). Drug Warning Monoethyl fumarate has genuine anti-psoriatic activity, but its toxicity is too high for clinical application. Experimental studies have confirmed that the above-mentioned fumarate esters inhibit nucleic acid and protein synthesis in 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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