| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
As a labeled fatty acid, Undecanoic acid-d21 does not have a specific pharmacological target. Undecanoic acid is a monocarboxylic acid with antifungal effects. The deuterated form is used to study fatty acid metabolism and the antifungal mechanisms of undecanoic acid.
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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].
Undecanoic acid-d21 is used in vitro as a tracer to study fatty acid metabolism and antifungal activity. The compound is added to fungal cultures to track the inhibition of keratinase, lipase, and phospholipid biosynthesis. It does not exhibit intrinsic pharmacological activity beyond that of undecanoic acid but serves as a quantitative tool for studying antifungal mechanisms. |
| ln Vivo |
In vivo, Undecanoic acid-d21 is used in metabolic studies to trace undecanoic 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.
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| Enzyme Assay |
As an analytical standard, Undecanoic acid-d21 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.
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| Cell Assay |
In vitro cell culture experiments using Undecanoic acid-d21 involve treating fungal 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 antifungal mechanisms. Concentrations and incubation times vary depending on the experimental design.
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| Animal Protocol |
In vivo animal studies using Undecanoic acid-d21 involve administering the compound to rodents via oral gavage or intravenous injection. 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.
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| ADME/Pharmacokinetics |
Undecanoic acid-d21 exhibits pharmacokinetic properties similar to those of unlabeled undecanoic acid. As a medium-chain fatty acid, it is absorbed from the gastrointestinal tract and metabolized via beta-oxidation. The deuterium label provides a distinct mass shift for analytical detection without significantly altering the compound's physicochemical properties.
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| Toxicity/Toxicokinetics |
Undecanoic acid-d21 is considered safe for research use at typical concentrations. The compound is stable if stored under recommended conditions and should be re-analyzed for chemical purity after three years. 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 |
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| Additional Infomation |
Undecanoic acid-d21 has a molecular formula of C₁₁HD₂₁O₂ and a molecular weight of 207.42. Isotopic enrichment is typically 98 atom% D. The compound is stored at room temperature and is primarily used as an internal standard for mass spectrometry-based quantification of undecanoic acid and related fatty acids.
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| Molecular Formula |
C12HD23O2
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|---|---|
| Molecular Weight |
223.46
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| Exact Mass |
207.294
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| CAS # |
60658-40-4
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| Related CAS # |
Undecanoic acid;112-37-8
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| PubChem CID |
54541619
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| Appearance |
White to off-white solid powder
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| Boiling Point |
225ºC100 mm Hg(lit.)
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| Melting Point |
44-46ºC(lit.)
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| Flash Point |
134.1ºC
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| LogP |
3.601
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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 |
9
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| Heavy Atom Count |
13
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| Complexity |
121
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| Defined Atom Stereocenter Count |
0
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| 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(=O)O
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| InChi Key |
ZDPHROOEEOARMN-SLBGAMDCSA-N
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| InChi Code |
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2
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| Chemical Name |
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosadeuterioundecanoic 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) |
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 | 4.4751 mL | 22.3754 mL | 44.7507 mL | |
| 5 mM | 0.8950 mL | 4.4751 mL | 8.9501 mL | |
| 10 mM | 0.4475 mL | 2.2375 mL | 4.4751 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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