| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| Other Sizes |
| Targets |
Hexanoic acid-d11 is a stable isotope-labeled compound used as a tracer in metabolic pathways. The non-deuterated hexanoic acid acts as a resistance priming inducer that protects tomato plants from Botrytis cinerea and has a role as a human and plant metabolite. In biological systems, hexanoic acid can activate the salicylic acid signaling pathway, inducing resistance against pathogens. It has also shown efficacy against various bacterial strains.
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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].
In vitro, Hexanoic acid-d11 functions as a stable isotope tracer, with its incorporation into metabolic pathways allowing for quantitative tracking of metabolic flux. The non-deuterated hexanoic acid demonstrates efficacy against various bacterial strains and acts as a resistance priming inducer in plants. However, specific in vitro potency data such as IC₅₀ values are not detailed in the available literature. Its primary in vitro application is as an analytical standard and tracer. |
| ln Vivo |
Specific in vivo activity data for Hexanoic acid-d11 are not available as it is primarily a tracer compound. The non-deuterated hexanoic acid, as a naturally occurring fatty acid, is a human and plant metabolite involved in normal metabolic processes. As a resistance priming inducer, it protects tomato plants from Botrytis cinerea by activating the salicylic acid signaling pathway. However, systematic pharmacological in vivo studies of the deuterated compound have not been reported.
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| Enzyme Assay |
No specific protocols for enzyme/receptor binding assays are available for Hexanoic acid-d11 as it is primarily a tracer compound. For metabolic studies, the compound is typically used in chromatographic methods such as GC-MS or LC-MS for quantitative analysis of fatty acid metabolism. It serves as an internal standard or tracer to track the incorporation and transformation of hexanoic acid in biological systems. Standard curves are prepared using known concentrations of the deuterated compound.
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| Cell Assay |
No specific cell-based assay protocols are available for Hexanoic acid-d11. The compound is primarily used as a stable isotope tracer in metabolic studies rather than in cellular assays. For fatty acid metabolism studies, cells are treated with the deuterated compound, and its incorporation into metabolic pathways is tracked by mass spectrometry. It may also be used as an internal standard in quantitative analysis of fatty acids in cell lysates or culture media.
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| Animal Protocol |
No specific in vivo animal experiment protocols are available for Hexanoic acid-d11. The compound is used as a tracer in pharmacokinetic and metabolic studies where it is administered to animals, and its distribution, metabolism, and excretion are tracked by mass spectrometry. However, specific protocols are not detailed in the available literature. The compound is not used as a therapeutic agent but as an analytical tool.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Hexanoic acid-d11 are not directly available. As a deuterated analogue of hexanoic acid, its pharmacokinetic properties may differ from the non-deuterated form due to the kinetic isotope effect, which can affect metabolic stability and clearance. Hexanoic acid itself is a naturally occurring fatty acid that is metabolized via β-oxidation. The deuterated form is used to study these metabolic pathways and to investigate how deuteration affects drug pharmacokinetics.
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| Toxicity/Toxicokinetics |
Toxicological data for Hexanoic acid-d11 are limited. As a deuterated fatty acid, it is generally considered to have low toxicity. Hexanoic acid is a naturally occurring compound found in various animal fats and oils and is a human metabolite. However, comprehensive toxicological studies for the deuterated form have not been reported. Standard laboratory safety precautions should be followed when handling the compound. It is intended for research use only.
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| References | |
| Additional Infomation |
Hexanoic acid-d11 is the deuterium-labeled analogue of hexanoic acid, a naturally occurring fatty acid found in animal fats and oils. It is primarily used as a quantitative tracer in drug development and metabolic studies. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. The compound is also used to synthesize fragrances, food additives, and flavor enhancers. It is a research tool and is not approved for any clinical indication.
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| Molecular Formula |
C6HD11O2
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| Molecular Weight |
127.23
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| Exact Mass |
127.153
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| CAS # |
95348-44-0
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| Related CAS # |
Hexanoic acid-d3;55320-69-9
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| PubChem CID |
16212920
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| Appearance |
Colorless to light yellow oil
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| Density |
1.015 g/mL at 25ºC
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| Boiling Point |
202-203ºC(lit.)
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| Melting Point |
-3ºC(lit.)
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| Flash Point |
220 °F
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| Index of Refraction |
n20/D 1.412(lit.)
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| LogP |
1.651
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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 |
4
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| Heavy Atom Count |
8
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| Complexity |
68.9
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C([2H])([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
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| InChi Key |
FUZZWVXGSFPDMH-GILSBCIXSA-N
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| InChi Code |
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i1D3,2D2,3D2,4D2,5D2
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| Chemical Name |
2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoic 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 | 7.8598 mL | 39.2989 mL | 78.5978 mL | |
| 5 mM | 1.5720 mL | 7.8598 mL | 15.7196 mL | |
| 10 mM | 0.7860 mL | 3.9299 mL | 7.8598 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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