| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg | |||
| Other Sizes |
| Targets |
As an isotopically labeled compound, p-Toluic acid-d7 does not have a specific biological target; it is used as a tracer and internal standard for mass spectrometry quantification of p-toluic acid and related metabolites in metabolic studies.
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|---|---|
| ln Vitro |
In vitro, p-Toluic acid-d7 is not biologically active; it serves as a chemical building block and an internal standard for LC-MS/MS and GC-MS analysis; its deuterium atoms provide a mass shift that allows differentiation from the unlabeled analyte in complex matrices.
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| ln Vivo |
In vivo, p-Toluic acid-d7 is used as a tracer in metabolic studies to track the fate of p-toluic acid and its metabolites; it is not pharmacologically active; its deuterium labeling enables precise quantification of the parent compound in biological fluids.
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| Enzyme Assay |
Non-cellular assay procedure: As an analytical standard, p-Toluic acid-d7 is dissolved in appropriate solvents (e.g., methanol or acetonitrile) and spiked into biological samples or reaction mixtures; samples are extracted and analyzed by LC-MS/MS or GC-MS; the deuterated compound serves as an internal standard for quantification of p-toluic acid using isotope dilution mass spectrometry.
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| Cell Assay |
Cellular assays are not performed with p-Toluic acid-d7 as it is not a biologically active compound; it may be used as a standard in cell culture media for metabolic labeling studies, but it does not induce cellular responses or pharmacological effects.
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| Animal Protocol |
In vivo animal experiments: p-Toluic acid-d7 is administered to animals (e.g., rats or mice) as a tracer; blood, urine, and tissue samples are collected at various time points; the compound and its metabolites are extracted and analyzed by LC-MS/MS to study the pharmacokinetics and metabolism of p-toluic acid.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties: p-Toluic acid-d7 behaves identically to unlabeled p-toluic acid; it is absorbed following oral administration, metabolized primarily by conjugation (e.g., glucuronidation), and excreted in urine; the deuterium label does not significantly alter its pharmacokinetic profile.
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| Toxicity/Toxicokinetics |
Toxicological profile: p-Toluic acid-d7 is not considered toxic at the low concentrations used as an analytical standard; p-toluic acid has low acute toxicity; standard laboratory safety precautions for handling organic compounds should be followed.
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| References | |
| Additional Infomation |
Other information: p-Toluic acid-d7 has a molecular formula of C₈HD₇O₂ and a molecular weight of 143.19; it is used as an internal standard in pharmaceutical and environmental analysis; its role is in analytical chemistry rather than pharmacology.
|
| Molecular Formula |
C8HD7O2
|
|---|---|
| Molecular Weight |
143.19
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| Exact Mass |
136.052
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| CAS # |
1219798-76-1
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| Related CAS # |
p-Toluic acid;99-94-5
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| PubChem CID |
129009768
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
275.3±9.0 °C at 760 mmHg
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| Flash Point |
124.7±13.4 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.556
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| LogP |
2.36
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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 |
1
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| Heavy Atom Count |
10
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| Complexity |
123
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])C([2H])([2H])[2H])[2H]
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| InChi Key |
LPNBBFKOUUSUDB-AAYPNNLASA-N
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| InChi Code |
InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/i1D3,2D,3D,4D,5D
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| Chemical Name |
2,3,5,6-tetradeuterio-4-(trideuteriomethyl)benzoic 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 | 6.9837 mL | 34.9186 mL | 69.8373 mL | |
| 5 mM | 1.3967 mL | 6.9837 mL | 13.9675 mL | |
| 10 mM | 0.6984 mL | 3.4919 mL | 6.9837 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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