| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Sebacic acid dimethyl ester does not have a specific pharmacological target such as a receptor or enzyme. As a chemical intermediate and plasticizer, its "target" is the polymer matrix or the chemical reaction in which it participates. In biological systems, it is a substrate for esterases, which can hydrolyze the ester bonds to release sebacic acid and methanol. It is not designed to interact with specific proteins or signaling pathways for a therapeutic effect. Its role in research is as a reagent or a building block for more complex molecules, rather than as a bioactive compound with a defined mechanism of action.
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|---|---|
| ln Vitro |
Dimethyl sebacate is a biochemical reagent that can be utilized in studies pertaining to life sciences as an organic substance or biological material.
Sebacic acid dimethyl ester does not exhibit intrinsic pharmacological activity in typical in vitro cell-based assays. Its effects in vitro are related to its chemical properties, such as its use as a plasticizer in cell culture materials. It can be metabolized by cellular esterases, but this is not a specific activity. In biochemical assays, it may be used as a substrate to study esterase activity or as a solvent. However, there are no reported IC50 or EC50 values for this compound against any biological target, as it is not a drug-like inhibitor or activator. |
| ln Vivo |
Sebacic acid dimethyl ester is not a drug and is not administered for therapeutic purposes in vivo. Its "in vivo activity" relates to its metabolism and disposition. When ingested or absorbed, it is likely hydrolyzed by esterases in the liver and other tissues to sebacic acid and methanol. Sebacic acid is a naturally occurring dicarboxylic acid that can enter the β-oxidation pathway and be metabolized to acetyl-CoA. Methanol is metabolized to formaldehyde and formate, which can be toxic at high doses. However, the compound itself is not used in animal models for pharmacological studies.
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| Enzyme Assay |
Non-cellular in vitro assays for sebacic acid dimethyl ester are typically chemical, not biological. A common assay is the characterization of its purity and identity using analytical techniques such as gas chromatography (GC) or high-performance liquid chromatography (HPLC). For instance, a sample is dissolved in an appropriate solvent and injected into a GC system equipped with a flame ionization detector (FID). The retention time is compared to a standard to confirm identity, and the peak area is used to determine purity. Additionally, its hydrolysis by esterases can be studied in vitro by incubating the compound with a purified enzyme or tissue homogenate and measuring the release of sebacic acid or methanol over time.
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| Cell Assay |
Cellular assays for sebacic acid dimethyl ester are not standard, as it is not a bioactive compound. If studied, it would be to assess its cytotoxicity or its effects on cell membrane properties due to its use as a plasticizer. For example, cells could be cultured in media containing varying concentrations of the compound for 24-48 hours. Cell viability would then be assessed using an MTT assay to determine if the compound has any toxic effects at high concentrations. However, such studies are not commonly reported, as the compound is primarily used as a chemical intermediate, not for investigating cellular pathways.
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| Animal Protocol |
In vivo animal studies with sebacic acid dimethyl ester are limited to toxicological assessments rather than pharmacological efficacy. For example, rats or mice could be administered the compound orally or by inhalation to study its acute or chronic toxicity. Observations would include mortality, body weight changes, and clinical signs of toxicity. At the end of the study, organs would be weighed and examined histopathologically. These studies are conducted to establish safety guidelines for occupational exposure, not for therapeutic purposes. The compound is not used in disease models.
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| ADME/Pharmacokinetics |
Sebacic acid dimethyl ester is absorbed through the gastrointestinal tract and is expected to be hydrolyzed by esterases to sebacic acid and methanol. Sebacic acid is a medium-chain dicarboxylic acid that can be metabolized via β-oxidation to acetyl-CoA, which enters the TCA cycle. Methanol is metabolized in the liver by alcohol dehydrogenase to formaldehyde and then to formate. The elimination half-life is likely short due to rapid metabolism. However, specific pharmacokinetic parameters such as Cmax, Tmax, and AUC for this compound have not been extensively reported in the literature.
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| Toxicity/Toxicokinetics |
Sebacic acid dimethyl ester has low acute toxicity. The oral LD50 in rats is estimated to be greater than 5,000 mg/kg. It may cause mild skin and eye irritation upon contact. Inhalation of vapors may cause respiratory irritation. Chronic exposure may affect the liver and kidneys, but data are limited. As a chemical intermediate, it is not classified as a carcinogen by IARC or NTP. However, as with all chemicals, appropriate safety measures should be taken when handling it, including the use of gloves, goggles, and adequate ventilation.
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| Additional Infomation |
Dimethyl sebacate is a fatty acid methyl ester formed by replacing the two carboxyl groups of sebacate with methoxycarbonyl groups. It is a plasticizer and a plant metabolite. It is a fatty acid methyl ester and diester. Its function is related to sebacate. Dimethyl sebacate has been reported in the literature as found in Astragalus mongholicus, Astragalus membranaceus, and Sextonia rubra.
Sebacic acid dimethyl ester is a versatile chemical with a wide range of industrial applications. It is used as a plasticizer to impart flexibility to polymers, as a lubricant, and as a solvent. In the flavor and fragrance industry, it is used for its fruity odor. It is also a key intermediate in the synthesis of various chemicals, including polyesters, polyurethanes, and corrosion inhibitors. It is not a pharmaceutical and has no clinical trials or regulatory approval for medical use. Its primary value is as a building block in organic synthesis and materials science. |
| Molecular Formula |
C12H22O4
|
|---|---|
| Molecular Weight |
230.3
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| Exact Mass |
230.151
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| CAS # |
106-79-6
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| PubChem CID |
7829
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| Appearance |
Colorless to white <29°C powder,>31°C liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
299.0±0.0 °C at 760 mmHg
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| Melting Point |
29-31 °C(lit.)
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| Flash Point |
145.0±0.0 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.437
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| LogP |
2.79
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
11
|
| Heavy Atom Count |
16
|
| Complexity |
179
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])[H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H])=O
|
| InChi Key |
ALOUNLDAKADEEB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
|
| Chemical Name |
dimethyl decanedioate
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| Synonyms |
Dimethyl sebacate Decanedioic acid, 1,10-dimethyl esterSebacic acid dimethyl ester Dimethyl sebacate Sebacic acid, dimethyl ester (8CI)Decanedioic acid, dimethyl ester
|
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.3422 mL | 21.7108 mL | 43.4216 mL | |
| 5 mM | 0.8684 mL | 4.3422 mL | 8.6843 mL | |
| 10 mM | 0.4342 mL | 2.1711 mL | 4.3422 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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