| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
The primary target of Salicylic acid-13C6 is not a biological receptor; rather, it is a stable isotope-labeled internal standard used for the accurate quantification of unlabeled salicylic acid in complex biological matrices. It functions as a cyclooxygenase-2 (COX-2) inhibitor, similar to unlabeled salicylic acid, but its biological activity is not exploited for therapeutic purposes. Its primary value is in analytical chemistry for calibration and quality control in LC-MS/MS and GC-MS methods.
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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, Salicylic acid-13C6 exhibits identical biochemical properties to its unlabeled counterpart but its biological activity is not the focus of its use. As a COX inhibitor, it can reduce prostaglandin synthesis in cell culture, but it is rarely used for this purpose due to the availability of cheaper unlabeled salicylic acid. Its value lies in analytical applications, where it is used as an internal standard to correct for matrix effects, ion suppression, and extraction efficiency in mass spectrometry-based assays. |
| ln Vivo |
Salicylic acid-13C6 is not used for in vivo activity studies as a therapeutic drug. Instead, it is used as an internal standard in pharmacokinetic (PK) studies to quantify the concentration of unlabeled salicylic acid or aspirin metabolites in blood, urine, or tissue samples. The isotopically labeled compound co-elutes with the unlabeled analyte during chromatography but is distinguished by mass spectrometry due to its heavier molecular weight, allowing for precise and accurate quantification.
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| Enzyme Assay |
For non-cell-based assays, a standard protocol for LC-MS/MS quantification of salicylic acid uses Salicylic acid-13C6 as an internal standard. A stock solution of Salicylic acid-13C6 (1 mg/mL in methanol) is diluted to a working concentration (e.g., 100 ng/mL). An aliquot of the internal standard is added to each plasma, urine, or tissue homogenate sample before extraction. Samples are extracted by protein precipitation with acetonitrile or by solid-phase extraction. The extracted samples are analyzed by reverse-phase LC-MS/MS in negative ion mode (MRM transitions: m/z 137 → 93 for salicylic acid; m/z 143 → 97 for Salicylic acid-13C6).
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| Cell Assay |
A standard in vitro protocol for Salicylic acid-13C6 is not typically performed, as it is an analytical standard rather than a biological test compound. However, for cell culture experiments that require quantification of salicylic acid uptake, cells are cultured in media containing unlabeled salicylic acid. At various time points, media and cell lysates are collected, and a fixed concentration of Salicylic acid-13C6 is added as an internal standard. Samples are then processed for LC-MS/MS analysis to quantify the concentration of salicylic acid in the samples.
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| Animal Protocol |
Salicylic acid-13C6 is not used in animal experiments as a therapeutic agent. It is used as an internal standard in pharmacokinetic studies of aspirin or salicylate-containing drugs. In a typical PK study, an animal (e.g., rat or mouse) is administered unlabeled aspirin or salicylic acid. Blood samples are collected at multiple time points. A known amount of Salicylic acid-13C6 is added to each plasma sample before extraction. The concentration of unlabeled salicylic acid is determined by LC-MS/MS using the isotope-labeled internal standard for calibration, and PK parameters (AUC, Cmax, T1/2) are calculated by non-compartmental analysis.
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| ADME/Pharmacokinetics |
Salicylic acid-13C6 has the same pharmacokinetic properties as unlabeled salicylic acid due to identical chemical structure. It is rapidly absorbed following oral administration (bioavailability ∼50-70%). In the body, salicylic acid is metabolized primarily in the liver by conjugation with glycine to form salicyluric acid and with glucuronic acid to form salicyl glucuronides. The elimination half-life is dose-dependent, ranging from 2-3 hours at low doses to ∼20 hours at high doses due to saturable metabolism. Excretion occurs primarily in urine.
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| Toxicity/Toxicokinetics |
Salicylic acid-13C6 is a stable isotope-labeled compound and is not intended for human therapeutic use. As an analytical standard, it is handled in small quantities (milligrams) in laboratory settings. No specific toxicity data is required for this use. Unlabeled salicylic acid has well-characterized toxicity: acute ingestion can cause salicylism (tinnitus, nausea, metabolic acidosis); chronic use at high doses can cause gastrointestinal irritation and bleeding. However, these toxicities are not relevant at the trace amounts used for analytical purposes. Standard laboratory safety practices should be followed.
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| References |
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| Additional Infomation |
Salicylic acid-13C6 is a stable isotope internal standard for mass spectrometry-based quantification of salicylic acid in biological samples. It is used in pharmacokinetic studies of aspirin and other salicylate-containing drugs during drug development. The substitution of six carbon atoms with 13C increases the molecular weight by 6 Da, allowing differentiation from the unlabeled analyte by mass spectrometry without altering chemical or chromatographic properties. The compound is essential for accurate, quantitative bioanalysis and is widely used in clinical chemistry, pharmaceutical analysis, and forensic toxicology. It is not a therapeutic drug and has no clinical approval status.
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| Molecular Formula |
C7H6O3
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|---|---|
| Molecular Weight |
144.07700
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| Exact Mass |
144.052
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| CAS # |
1189678-81-6
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| Related CAS # |
Salicylic acid;69-72-7
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| PubChem CID |
46782908
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
1.09
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
10
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| Complexity |
133
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[13CH]1=[13CH][13CH]=[13C]([13C](=[13CH]1)C(=O)O)O
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| InChi Key |
YGSDEFSMJLZEOE-IDEBNGHGSA-N
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| InChi Code |
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
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| Chemical Name |
6-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic 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 | 6.9406 mL | 34.7029 mL | 69.4059 mL | |
| 5 mM | 1.3881 mL | 6.9406 mL | 13.8812 mL | |
| 10 mM | 0.6941 mL | 3.4703 mL | 6.9406 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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