| ln Vivo |
Dimethylmalonate (6 mg/kg/min; intravenous infusion; 51 minutes) increases restoration of spontaneous circulation (ROSC) and neurological function following stent arrest [1].
|
|---|---|
| Animal Protocol |
Animal/Disease Models: SD (SD (Sprague-Dawley)) male rat, cardiac arrest model [1]
Doses: 6 mg/kg/min Route of Administration: intravenous (iv) (iv)infusion, 51 minutes Experimental Results: ROSC improved after CA. Prevent the decline of neurological function on the third day after cardiopulmonary resuscitation and inhibit the apoptosis of hippocampal neurons. Inhibited caspase-3 cleavage and increased HIF-1α expression on day 3 after CPR. Oxidative stress levels diminished on day 3 after cardiopulmonary resuscitation. Inhibits MMP excessive hyperpolarization and inhibits cytochrome c leakage after 45 minutes of reperfusion. |
| References | |
| Additional Infomation |
Dimethyl malonate has been reported in Astragalus mongholicus, Astragalus membranaceus, and Myrtus communis with data available.
|
| Molecular Formula |
C5H8O4
|
|---|---|
| Molecular Weight |
132.115
|
| Exact Mass |
132.042
|
| CAS # |
108-59-8
|
| Related CAS # |
108-59-8
|
| PubChem CID |
7943
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
177.1±8.0 °C at 760 mmHg
|
| Melting Point |
−62 °C(lit.)
|
| Flash Point |
90.0±0.0 °C
|
| Vapour Pressure |
1.1±0.3 mmHg at 25°C
|
| Index of Refraction |
1.402
|
| LogP |
-0.36
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
9
|
| Complexity |
104
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])[H])C(C([H])([H])C(=O)OC([H])([H])[H])=O
|
| InChi Key |
BEPAFCGSDWSTEL-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3
|
| Chemical Name |
dimethyl propanedioate
|
| Synonyms |
Dimethyl malonate; Tecfidera; BG-12; DMF
|
| 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 (~756.9 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.92 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 (18.92 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 (18.92 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 | 7.5689 mL | 37.8444 mL | 75.6888 mL | |
| 5 mM | 1.5138 mL | 7.5689 mL | 15.1378 mL | |
| 10 mM | 0.7569 mL | 3.7844 mL | 7.5689 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT02993484 | Completed | Drug: Dimethyl Malonate Other: Ischemia reperfusion |
Reperfusion Injuries, Myocardial | University of Aarhus | December 2016 |
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