| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
As an analytical standard, octanoic acid-d15 is not used for studying biological targets or activity. The non-deuterated parent compound, octanoic acid, is a medium-chain fatty acid that is metabolized in the liver via beta-oxidation without requiring carnitine for mitochondrial entry. Octanoic acid has been studied for its potential effects on brain metabolism, ketone body production, and energy homeostasis. It also exhibits antimicrobial properties.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
Octanoic acid-d15 is not used to measure biological activity. The non-deuterated compound, octanoic acid, has been studied in vitro for various effects. For example, octanoic acid (100-500 uM) induces caspase activation and apoptosis in G. mellonella hemocyte cultures. It also affects BCKDH (branched-chain alpha-keto acid dehydrogenase) activity in cell homogenates. However, the deuterated version is not used in such activity assays; its sole purpose is analytical quantification. |
| ln Vivo |
Octanoic acid-d15 is not intended for in vivo studies of biological activity; it is only used as an internal standard for analytical quantification. The non-deuterated octanoic acid has been studied for its effects on brain metabolism, neuroprotection, and as a source of ketone bodies for the treatment of neurological disorders like epilepsy and Alzheimer's disease when administered in animal models. Octanoic acid is rapidly absorbed from the gastrointestinal tract and crosses the blood-brain barrier.
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| Enzyme Assay |
For non-cellular assays (analytical quantification), octanoic acid-d15 is prepared as a standard solution in an appropriate solvent (e.g., methanol, hexane, or isopropanol) at a concentration of 1 mg/mL. For LC-MS/MS analysis, a calibration curve for octanoic acid is prepared in human plasma or serum (0.1-100 ug/mL) with a fixed concentration of octanoic acid-d15 (e.g., 10 ug/mL). Samples are extracted using liquid-liquid extraction with ethyl acetate or protein precipitation with acetonitrile. Chromatographic separation is performed on a C18 column with a mobile phase of 0.1% formic acid in water and methanol (gradient elution).
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| Cell Assay |
For cell-based assays, octanoic acid-d15 is not used for activity studies. For non-deuterated octanoic acid, primary hemocyte cultures from G. mellonella are prepared in appropriate media. Cells are treated with octanoic acid (100-500 uM) for 4-24 hours. Caspase activity is measured using fluorogenic substrates (e.g., Ac-DEVD-AMC for caspase-3). For BCKDH activity measurement, cells are homogenized, and BCKDH activity is determined in a reaction buffer containing 50 mM HEPES (pH 7.5), 0.5 mM NAD+, 0.2 mM CoA, 1 mM MgCl2, 1 mM DTT, and 2 mM alpha-ketoisovalerate; the production of NADH is monitored at 340 nm.
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| Animal Protocol |
For in vivo animal experiments, octanoic acid-d15 is not administered as a drug. For the non-deuterated compound, octanoic acid is administered to rodents via oral gavage or intraperitoneal injection (typically 100-500 mg/kg). It is used to study its effects on ketosis, brain metabolism, seizure control, and metabolic regulation. Blood samples are collected for measurement of beta-hydroxybutyrate (ketone body) levels, glucose, and insulin. Brain tissue can be harvested for analysis of metabolic intermediates.
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| ADME/Pharmacokinetics |
Octanoic acid-d15 is a stable isotope-labeled compound with a molecular weight of approximately 159.3 g/mol. It is soluble in organic solvents (ethanol, methanol, DMSO, hexane) but has limited solubility in water. The compound is stable under normal storage conditions (store at -20degC, protected from light). As an analytical internal standard, it is used at low concentrations (ug/mL). Deuterium labeling does not significantly alter the chemical behavior, allowing co-elution with the non-deuterated analog in chromatography.
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| Toxicity/Toxicokinetics |
Octanoic acid-d15 is a stable isotope-labeled compound with minimal toxicity at analytical concentrations (ug/mL). The non-deuterated parent compound, octanoic acid, has an oral LD₅0 of approximately 10,000 mg/kg in rats, indicating low acute toxicity. However, high concentrations may cause gastrointestinal irritation. Standard laboratory safety precautions for handling fatty acids should be followed. This compound is non-radioactive and poses no radiation hazard.
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| References | |
| Additional Infomation |
Octanoic acid-d15 is an analytical standard and research tool, not an approved drug. No clinical trials have been conducted with the deuterated version for therapeutic purposes. The non-deuterated parent compound, octanoic acid, is used as a food additive (GRAS) and has been investigated as a potential therapeutic for neurological disorders (e.g., epilepsy, Alzheimer's disease) due to its ability to induce ketosis. It is also used as a dietary supplement for individuals on ketogenic diets. Octanoic acid-d15 is used exclusively as an internal standard for quantitative mass spectrometry analysis in research and quality control settings.
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| Molecular Formula |
C8HD15O2
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|---|---|
| Molecular Weight |
159.30
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| Exact Mass |
159.209
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| CAS # |
69974-55-6
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| Related CAS # |
Octanoic acid;124-07-2
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| PubChem CID |
13011402
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.005 g/mL at 25ºC
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| Boiling Point |
237ºC(lit.)
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| Melting Point |
16ºC(lit.)
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| Flash Point |
>230 °F(lit.)
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| Index of Refraction |
n20/D 1.4245(lit.)
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| LogP |
2.431
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
10
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| Complexity |
89.3
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCCCC(=O)O
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| InChi Key |
WWZKQHOCKIZLMA-PMELWRBQSA-N
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| InChi Code |
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2
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| Chemical Name |
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoic acid
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| 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) |
DMSO: ≥ 100 mg/mL (627.75 mM)
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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 | 6.2775 mL | 31.3873 mL | 62.7746 mL | |
| 5 mM | 1.2555 mL | 6.2775 mL | 12.5549 mL | |
| 10 mM | 0.6277 mL | 3.1387 mL | 6.2775 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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