| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| Other Sizes |
| Targets |
Endogenous Metabolite; no specific drug target as it serves as an isotopic tracer.
|
|---|---|
| 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].
The non-labeled parent compound octanoic acid is an oily liquid with a slightly rancid taste, used commercially in the production of esters for perfumery and dye manufacturing. As a stable isotope-labeled endogenous metabolite, it exhibits identical chemical and biological properties to unlabeled octanoic acid but with a distinct molecular mass for precise detection. |
| ln Vivo |
As a stable isotope-labeled compound, octanoic acid-13C4 is not intended for in vivo efficacy studies. The non-labeled octanoic acid is a saturated medium-chain fatty acid used in energy metabolism research and is known to support ketogenesis, cellular energy production, and has potential applications in neurological conditions such as epilepsy.
|
| Enzyme Assay |
Receptor binding assays are not applicable as this compound functions primarily as an analytical standard. For isotope tracer studies, the compound is typically analyzed by gas chromatography-mass spectrometry (GC-MS) or liquid chromatography-mass spectrometry (LC-MS). Standard assay protocols involve sample extraction from biological matrices, derivatization if necessary, and quantification using selected ion monitoring (SIM).
|
| Cell Assay |
Not applicable as this compound is an analytical internal standard rather than a drug candidate. For cellular metabolism studies, octanoic acid-13C4 can be added to cell culture media at concentrations of 0.1-10 mM. Cells are incubated for 1-24 hours, and cellular metabolites are extracted for analysis by LC-MS or GC-MS to trace carbon-13 incorporation into downstream metabolites.
|
| Animal Protocol |
In vivo animal studies typically involve administration of octanoic acid-13C4 to rodents via oral gavage or intravenous injection at tracer doses (e.g., 10-100 mg/kg). Blood samples are collected at multiple time points (0-24 hours), and tissues (liver, brain, muscle) are harvested. Isotopic enrichment is measured by mass spectrometry to determine metabolic fate.
|
| ADME/Pharmacokinetics |
As an analytical internal standard, pharmacokinetic properties are not directly assessed. The non-labeled octanoic acid is known to be rapidly absorbed from the gastrointestinal tract and metabolized primarily via beta-oxidation in mitochondria. It readily crosses the blood-brain barrier and is used as an energy substrate in the brain.
|
| Toxicity/Toxicokinetics |
No toxicity data are specifically reported for the labeled compound. The non-labeled octanoic acid is considered safe and is generally recognized as safe (GRAS) by regulatory authorities for food and pharmaceutical applications. At high doses, mild gastrointestinal discomfort may occur, but no significant organ toxicity has been reported.
|
| References | |
| Additional Infomation |
Octanoic acid-13C4 is a stable isotope-labeled compound used exclusively for research and bioanalytical applications. It serves as an essential internal standard for quantitative analysis of fatty acids in biological samples. Unlike the unlabeled compound, the 13C-labeled version provides a distinct mass shift (+4), enabling accurate quantification without isotopic interference. This compound is not a therapeutic agent and has no approved clinical indications.
|
| Molecular Formula |
C413C4H16O2
|
|---|---|
| Molecular Weight |
148.18
|
| Exact Mass |
148.128
|
| CAS # |
159118-65-7
|
| Related CAS # |
Octanoic acid;124-07-2
|
| PubChem CID |
16213598
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
0.929 g/mL at 25ºC
|
| Boiling Point |
237ºC(lit.)
|
| Melting Point |
16ºC(lit.)
|
| Flash Point |
>230 °F(lit.)
|
| Index of Refraction |
n20/D 1.428(lit.)
|
| LogP |
2.431
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
10
|
| Complexity |
89.3
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCC[13CH2][13CH2][13CH2][13C](=O)O
|
| InChi Key |
WWZKQHOCKIZLMA-WKHKRNGSSA-N
|
| InChi Code |
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i5+1,6+1,7+1,8+1
|
| Chemical Name |
(1,2,3,4-13C4)octanoic acid
|
| 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) |
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
|
|---|---|
| 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 | 6.7485 mL | 33.7427 mL | 67.4855 mL | |
| 5 mM | 1.3497 mL | 6.7485 mL | 13.4971 mL | |
| 10 mM | 0.6749 mL | 3.3743 mL | 6.7485 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
