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| 10mg |
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| Other Sizes |
| Targets |
The primary target of Acetaminophen-d7 is not the compound itself but the parent drug Acetaminophen, which is a selective COX-2 inhibitor with an IC50 of 25.8 μM. Acetaminophen is a widely used antipyretic and analgesic agent. Acetaminophen-d7 is used as an internal standard for the quantification of Acetaminophen in pharmacokinetic and bioanalytical 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].
Acetaminophen-d7 itself does not exhibit direct in vitro biological activity because it is a stable isotope-labeled internal standard. However, the parent compound Acetaminophen is a selective COX-2 inhibitor with an IC50 of 25.8 μM. Acetaminophen-d7 is used as an internal standard to accurately measure Acetaminophen concentrations in biological samples. |
| ln Vivo |
Acetaminophen-d7 is not intended for in vivo administration as a therapeutic agent; it is used as an analytical standard. The in vivo activity of the parent compound Acetaminophen is well documented as an antipyretic and analgesic agent. Acetaminophen-d7 is utilized in pharmacokinetic studies to track the distribution, metabolism, and excretion of Acetaminophen in biological systems.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Acetaminophen-d7 are not typically performed, as it is an analytical standard. Instead, the compound is used in analytical method development and validation. Quality control assays involve HPLC or LC-MS/MS to verify isotopic purity (≥98 atom % D) and chemical purity. The compound is tested for stability under various storage conditions.
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| Cell Assay |
Acetaminophen-d7 itself is not tested in in vitro cellular assays for biological activity, as it is an analytical standard. Its utility is assessed by its performance as an internal standard in analytical workflows, including its ability to provide accurate quantification in LC-MS/MS analyses. The compound is used in quality control applications for Acetaminophen analysis.
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| Animal Protocol |
In vivo animal studies for Acetaminophen-d7 are not conducted as therapeutic efficacy studies. Instead, the compound is administered to animals as a tracer in pharmacokinetic studies to quantify the parent drug Acetaminophen in plasma, tissues, and excreta. These studies help determine the absorption, distribution, metabolism, and excretion (ADME) profile of Acetaminophen.
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| ADME/Pharmacokinetics |
Acetaminophen-d7 has a molecular formula of C8H2D7NO2 and a molecular weight of 158.21. It has a purity of ≥98% and an isotopic enrichment of ≥98 atom % D. It appears as a solid. The compound is stable under recommended storage conditions. It is intended for research use only and is not for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of Acetaminophen-d7 is not extensively characterized, as it is an analytical standard rather than a therapeutic agent. The parent compound Acetaminophen has well-established safety and toxicity profiles as an analgesic and antipyretic agent. Acetaminophen-d7 is intended for research use only and is not approved for clinical use. Standard laboratory safety precautions should be followed when handling this compound.
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| References |
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| Additional Infomation |
Acetaminophen-d7 (CAS 1219798-53-4) is the deuterium-labeled form of Acetaminophen. Acetaminophen is a selective COX-2 inhibitor with an IC50 of 25.8 μM and is a widely used antipyretic and analgesic agent. Acetaminophen-d7 is used in pharmaceutical research to study drug metabolism and pharmacokinetic properties. It is intended for research use only and is not approved for clinical use.
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| Molecular Formula |
C8H2D7NO2
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|---|---|
| Molecular Weight |
158.21
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| Exact Mass |
151.063
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| CAS # |
1219798-53-4
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| Related CAS # |
Acetaminophen;103-90-2
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| PubChem CID |
131869277
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
387.8±25.0 °C at 760 mmHg
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| Flash Point |
188.4±23.2 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.619
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| LogP |
0.34
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
139
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1NC(=O)C([2H])([2H])[2H])[2H])[2H])O)[2H]
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| InChi Key |
RZVAJINKPMORJF-AAYPNNLASA-N
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| InChi Code |
InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/i1D3,2D,3D,4D,5D
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| Chemical Name |
2,2,2-trideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide
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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: ~250 mg/mL (~1580.2 mM; with ultrasonication)
H2O: ~10 mg/mL (~63.2 mM; with ultrasonication) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.80 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (15.80 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (15.80 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.3207 mL | 31.6036 mL | 63.2071 mL | |
| 5 mM | 1.2641 mL | 6.3207 mL | 12.6414 mL | |
| 10 mM | 0.6321 mL | 3.1604 mL | 6.3207 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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