| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| 500mg |
| Targets |
As a labeled fatty acid, Tridecanoic acid-d25 does not have a specific pharmacological target. Tridecanoic acid is a medium-chain saturated fatty acid that can serve as an antipersister and antibiofilm agent. It inhibits the persistence and biofilm formation of Escherichia coli. The deuterated form is used to study fatty acid metabolism and antibacterial mechanisms.
|
|---|---|
| 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].
Tridecanoic acid-d25 is used in vitro as a tracer to study fatty acid metabolism and antibacterial activity. The compound is added to bacterial cultures to track the antibiofilm effects of tridecanoic acid. It does not exhibit intrinsic pharmacological activity beyond that of tridecanoic acid but serves as a quantitative tool for studying fatty acid metabolism and antimicrobial mechanisms. |
| ln Vivo |
In vivo, Tridecanoic acid-d25 is used in metabolic studies to trace tridecanoic acid absorption, distribution, metabolism, and excretion. The deuterium label allows for precise quantification of the compound and its metabolites in biological fluids and tissues using mass spectrometry.
|
| Enzyme Assay |
As an analytical standard, Tridecanoic acid-d25 is used in lipidomics and fatty acid analysis. Typical protocols involve spiking the labeled compound into samples prior to extraction and analysis by GC-MS or LC-MS. The compound serves as an internal standard to correct for matrix effects and instrument variability.
|
| Cell Assay |
In vitro cell culture experiments using Tridecanoic acid-d25 involve treating bacterial or mammalian cells with the labeled fatty acid and analyzing its uptake and metabolism by mass spectrometry. The compound can be used to study fatty acid metabolism and antibacterial mechanisms, including biofilm inhibition.
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| Animal Protocol |
In vivo animal studies using Tridecanoic acid-d25 involve administering the compound to rodents via oral gavage. Blood samples are collected at various time points, and the concentration of the labeled compound is measured by mass spectrometry. Tissue distribution and metabolic profiling can also be performed.
|
| ADME/Pharmacokinetics |
Tridecanoic acid-d25 exhibits pharmacokinetic properties similar to those of unlabeled tridecanoic acid. As a medium-chain fatty acid, it is absorbed from the gastrointestinal tract and transported via the portal vein to the liver, where it is metabolized via beta-oxidation. The deuterium label provides a distinct mass shift for analytical detection.
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| Toxicity/Toxicokinetics |
Tridecanoic acid-d25 is considered safe for research use at typical concentrations. Tridecanoic acid is a naturally occurring fatty acid with a well-established safety profile. The compound is stable if stored under recommended conditions. As a stable isotope-labeled compound, it is not intended for therapeutic use and is handled under standard laboratory safety practices.
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| References | |
| Additional Infomation |
Tridecanoic acid-d25 is a C13 straight-chain saturated fatty acid in which aliphatic hydrogen atoms are replaced by deuterium atoms. It is a long-chain fatty acid, a straight-chain saturated fatty acid, and a deuterated fatty acid. Functionally, it is related to tridecanoic acid.
Tridecanoic acid-d25 has a molecular formula of C₁₃HD₂₅O₂ and a molecular weight of 239.50. Isotopic enrichment is typically 98 atom% D. The compound is commonly found in dairy products and is also a useful synthetic intermediate used to synthesize Testosterone Tridecanoate. It is primarily used as an internal standard for mass spectrometry-based quantification. |
| Molecular Formula |
C13HD25O2
|
|---|---|
| Molecular Weight |
239.5
|
| Exact Mass |
239.35
|
| CAS # |
202529-03-1
|
| Related CAS # |
Tridecanoic acid;638-53-9
|
| PubChem CID |
71728400
|
| Appearance |
White to off-white solid powder
|
| LogP |
4.382
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
11
|
| Heavy Atom Count |
15
|
| Complexity |
144
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
|
| InChi Key |
SZHOJFHSIKHZHA-VVZIYBSUSA-N
|
| InChi Code |
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2
|
| Chemical Name |
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosadeuteriotridecanoic acid
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ~200 mg/mL (~835.1 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (20.88 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (20.88 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 5 mg/mL (20.88 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1754 mL | 20.8768 mL | 41.7537 mL | |
| 5 mM | 0.8351 mL | 4.1754 mL | 8.3507 mL | |
| 10 mM | 0.4175 mL | 2.0877 mL | 4.1754 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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