| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Terephthalic acid-13C2 is not a pharmacologically active drug and thus has no defined biological drug target. It is used as an isotopic tracer in chemical and biochemical research. The non-labeled terephthalic acid is an environmental contaminant and a precursor to polyester PET, but does not have established therapeutic targets. The 13C-labeled version is employed in metabolic tracing studies.
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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].
No specific in vitro pharmacological activity is reported for Terephthalic acid-13C2 as it is an isotopic tracer, not a drug. The compound is used in in vitro metabolic studies to trace the incorporation of carbon-13 atoms in biological systems. It can be added to cell culture media or biochemical reaction mixtures as a stable isotope tracer for mass spectrometry analysis. |
| ln Vivo |
Terephthalic acid-13C2 has no in vivo pharmacological activity as it is a research tracer rather than a therapeutic agent. It is used in animal studies as a stable isotope tracer to investigate drug distribution, metabolism, and pharmacokinetics. The compound is administered to laboratory animals and its metabolic fate is tracked using LC-MS or other analytical methods that detect the 13C label.
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| Enzyme Assay |
For in vitro experiments using Terephthalic acid-13C2 as a tracer, the compound is typically dissolved in an appropriate solvent (e.g., DMSO or water) at desired concentrations (e.g., 1-100 microM). It is then added to reaction mixtures for kinetic studies or to cell culture media for metabolic labeling studies. Samples are collected at various time points and analyzed by LC-MS or GC-MS to monitor the incorporation of the 13C label into metabolic products.
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| Cell Assay |
Terephthalic acid-13C2 is not used in conventional cell-based drug assays. Instead, it is utilized as a stable isotope tracer in metabolic labeling experiments. Cells are cultured in standard media (e.g., DMEM with 10% FBS) and then switched to media containing Terephthalic acid-13C2 at defined concentrations. After incubation for specified time periods (e.g., 0, 6, 12, 24, 48 hours), cells are harvested, lysed, and metabolites are extracted for LC-MS/MS analysis to trace carbon-13 incorporation.
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| Animal Protocol |
For in vivo tracer studies, Terephthalic acid-13C2 is typically administered to rodents via oral gavage, intravenous injection, or intraperitoneal injection at a dose determined from preliminary studies (e.g., 5-50 mg/kg). Blood samples are collected at predetermined time points (e.g., 0, 15, 30, 60, 120, 240, 480 minutes). Tissues (liver, kidney, etc.) may also be collected. Plasma and tissue samples are processed and analyzed by LC-MS/MS to quantify the labeled compound and its metabolites.
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| ADME/Pharmacokinetics |
Since Terephthalic acid-13C2 is a stable isotope-labeled tracer and not a therapeutic drug, no specific PK parameters have been established for this labeled compound. The pharmacokinetics of the non-labeled terephthalic acid involve rapid absorption and excretion, primarily via urine, with low systemic accumulation. When used as a tracer, its disposition is monitored by LC-MS-based methods to track distribution and elimination.
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| Toxicity/Toxicokinetics |
Terephthalic acid-13C2 is generally considered safe for laboratory use as a stable isotope tracer when handled appropriately. The non-labeled terephthalic acid has low acute toxicity (LD50 oral rat >5,000 mg/kg). Prolonged exposure in industrial settings has been associated with potential bladder and kidney effects. The 13C-labeled version is chemically identical except for isotopic composition and exhibits the same toxicological profile.
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| References |
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| Additional Infomation |
This compound is exclusively a research-use stable isotope-labeled chemical, not a pharmaceutical drug or therapeutic agent. It has no approved drug status, no clinical trial history, and no regulatory approval for human medical use. Terephthalic acid-13C2 is employed in chemistry research as a tracer for reaction mechanisms and kinetic studies, and in biology/medicine for drug development and pharmacokinetic studies to understand drug distribution and metabolism. Its uniqueness lies in its isotopic labeling, enabling precise tracking via mass spectrometry.
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| Molecular Formula |
C613C2H6O4
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|---|---|
| Molecular Weight |
168.12
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| Exact Mass |
168.033
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| CAS # |
121191-53-5
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| Related CAS # |
Terephthalic acid;100-21-0
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| PubChem CID |
16213482
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| Appearance |
White to off-white solid powder
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| Density |
1.451g/cm3
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| Melting Point |
>300ºC(lit.)
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| Index of Refraction |
1.617
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| LogP |
1.083
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
12
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| Complexity |
169
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC=C1[13C](=O)O)[13C](=O)O
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| InChi Key |
KKEYFWRCBNTPAC-BFGUONQLSA-N
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| InChi Code |
InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i7+1,8+1
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| Chemical Name |
terephthalic 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) |
DMSO: 125 mg/mL (743.52 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (12.37 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.9481 mL | 29.7407 mL | 59.4813 mL | |
| 5 mM | 1.1896 mL | 5.9481 mL | 11.8963 mL | |
| 10 mM | 0.5948 mL | 2.9741 mL | 5.9481 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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