| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
No specific drug target; serves as a stable isotope-labeled internal standard for flavor chemistry and metabolic studies. Endogenous vanillin is a natural phenolic aldehyde.
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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].
As a stable isotope-labeled compound, Vanillin-13C6 exhibits identical chemical properties to unlabeled vanillin. Unlabeled vanillin is a single molecule extracted from vanilla beans and is a popular odor used widely in perfume, food, and medicine. It possesses antioxidant and anti-inflammatory properties and is used in pharmaceutical research for its potential health benefits. |
| ln Vivo |
The non-labeled vanillin is a flavoring agent commonly used in the food industry. It has been studied for its antioxidant, anti-inflammatory, anti-mutagenic, and neuroprotective properties. Vanillin has been investigated in preclinical studies for its potential to reduce oxidative stress, inhibit tumor growth, and modulate inflammatory responses. However, it is not approved as a therapeutic drug.
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| Enzyme Assay |
Receptor binding assays are not applicable. Standard analytical protocols using Vanillin-13C6 involve its use as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS. For LC-MS/MS analysis, samples are extracted with organic solvents, separated on a reverse-phase C18 column, and detected in negative ion mode using MRM. For NMR, the compound is used as a spiked internal standard for quantification of unlabeled vanillin.
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| Cell Assay |
For cell-based studies, vanillin can be added to cell culture media at concentrations of 10-500 uM. Cells (e.g., neuronal cell lines, macrophages, or cancer cells) are treated with vanillin (labeled or unlabeled) for 1-24 hours. Markers of oxidative stress (ROS, glutathione), inflammation (COX-2, iNOS, cytokines), or cell viability (MTT assay) are measured to assess vanillin's biological activities.
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| Animal Protocol |
In vivo animal studies using Vanillin-13C6 are typically conducted for metabolic tracing or pharmacokinetic studies in rodents. The labeled compound is administered via oral gavage (10-100 mg/kg) or intravenous injection. Blood samples are collected at multiple time points (0-24 hours), and tissues (liver, kidney, brain) may be harvested. Vanillin and its metabolites (e.g., vanillic acid, vanillyl alcohol) are quantified by LC-MS/MS.
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| ADME/Pharmacokinetics |
As an internal standard, pharmacokinetic properties are not directly assessed. The non-labeled vanillin is rapidly absorbed from the gastrointestinal tract, metabolized in the liver primarily by conjugation (glucuronidation and sulfation), and excreted in urine as metabolites. Its plasma half-life in humans is approximately 1-2 hours. Vanillin has moderate oral bioavailability (~30-50% in rodents).
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| Toxicity/Toxicokinetics |
Vanillin is generally recognized as safe (GRAS) by regulatory authorities for use as a food flavoring agent. At doses commonly used in foods (up to 10 mg/kg body weight), no significant toxicity has been reported. High doses in animal studies (500-1000 mg/kg) may cause mild hepatotoxicity and nephrotoxicity. The labeled compound used as an analytical standard poses no additional safety concerns.
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| References |
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.
[2]. Lee SY, et al. Vanillin attenuates negative effects of ultraviolet A on the stemness of human adipose tissue-derived mesenchymal stem cells. Food Chem Toxicol. 2016 Oct;96:62-9. [3]. Xu J, et al. Vanillin-induced amelioration of depression-like behaviors in rats by modulating monoamine neurotransmitters in the brain. Psychiatry Res. 2015 Feb 28225(3):509-14. |
| Additional Infomation |
Vanillin-13C6 is a stable isotope-labeled compound used exclusively for research and bioanalytical applications. It serves as an essential internal standard for the accurate quantification of vanillin in food, pharmaceutical, and biological samples using NMR, GC-MS, or LC-MS. This compound is not a therapeutic agent and has no approved clinical indications. It is valuable for metabolic studies of vanillin and for quality control in the food and pharmaceutical industries.
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| Molecular Formula |
C213C6H8O3
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|---|---|
| Molecular Weight |
158.10
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| Exact Mass |
158.067
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| CAS # |
201595-58-6
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| Related CAS # |
Vanillin;121-33-5
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| PubChem CID |
71309238
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| Appearance |
White to off-white solid powder
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| LogP |
1.213
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
135
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CO[13C]1=[13C](O)[13CH]=[13CH][13C](C=O)=[13CH]1
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| InChi Key |
MWOOGOJBHIARFG-BOCFXHSMSA-N
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| InChi Code |
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3/i2+1,3+1,4+1,6+1,7+1,8+1
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| Chemical Name |
4-hydroxy-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
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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 | 6.3251 mL | 31.6256 mL | 63.2511 mL | |
| 5 mM | 1.2650 mL | 6.3251 mL | 12.6502 mL | |
| 10 mM | 0.6325 mL | 3.1626 mL | 6.3251 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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