| Size | Price | Stock | Qty |
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| 5mg |
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| Targets |
Ibuprofen D3 targets the same enzymes as its unlabeled parent drug. Ibuprofen is a non-selective inhibitor of cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2). By inhibiting these enzymes, it reduces the production of prostaglandins, which are mediators of pain and inflammation. The deuterium labeling does not significantly alter target binding.
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| ln Vitro |
Ibuprofen D3 is primarily used as an analytical internal standard rather than for its pharmacological activity. Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID). The compound is used in LC-MS/MS methods for the quantification of Ibuprofen in biological matrices. The deuterium labeling provides a mass shift for accurate quantification.
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| ln Vivo |
Ibuprofen D3 is used in pharmacokinetic studies as an internal standard for the quantification of Ibuprofen. Ibuprofen is an NSAID used for its analgesic, anti-inflammatory, and antipyretic effects. The deuterium-labeled compound can be co-administered with unlabeled Ibuprofen to study absorption, distribution, metabolism, and excretion.
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| Enzyme Assay |
In vitro assays for Ibuprofen D3 are typically performed as part of analytical method validation. The compound is used as an internal standard in LC-MS/MS assays for the quantification of Ibuprofen. It is dissolved in an appropriate solvent and spiked into biological matrices at known concentrations. Calibration curves are generated by plotting the peak area ratio of Ibuprofen to Ibuprofen D3 against the concentration of Ibuprofen.
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| Cell Assay |
For in vitro cell-based assays, Ibuprofen D3 can be used in studies investigating Ibuprofen's cellular effects, though its primary use is as an analytical internal standard. Cells are treated with the compound, and its effects on prostaglandin production are measured. However, due to its role as an internal standard, it is more frequently used in the analytical quantification of the parent drug.
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| Animal Protocol |
In vivo animal studies with Ibuprofen D3 are primarily pharmacokinetic. The compound is administered orally to rodents, and blood samples are collected at predetermined time points. Plasma concentrations of both labeled and unlabeled Ibuprofen are analyzed by LC-MS/MS using Ibuprofen D3 as the internal standard. Pharmacodynamic effects can be evaluated in models of inflammation and pain.
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| ADME/Pharmacokinetics |
Ibuprofen D3 (CAS: 121662-14-4) has a molecular weight of 209.30 g/mol and a molecular formula of C13H15D3O2. Appearance: solid powder. Purity: ≥98%. Solubility: DMSO. Storage: -20°C. The compound is a deuterium-labeled internal standard for Ibuprofen.
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| Toxicity/Toxicokinetics |
Ibuprofen D3 is used in very small quantities as an analytical internal standard and does not pose significant toxicity risks under normal handling. As a deuterium-labeled analog of an approved NSAID, it is expected to have a similar pharmacological profile, but toxicology studies are typically not performed on the labeled compound. Ibuprofen is generally well-tolerated.
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| References | |
| Additional Infomation |
Ibuprofen D3 ((±)-Ibuprofen-d3) is a deuterium-labeled form of Ibuprofen, a non-steroidal anti-inflammatory drug (NSAID). It contains three deuterium atoms and is intended for use as an internal standard for the quantification of Ibuprofen by GC- or LC-MS. It is not intended for therapeutic use and is for research and analytical use only.
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| Molecular Formula |
C13H15D3O2
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|---|---|
| Molecular Weight |
209.299
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| Exact Mass |
209.149
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| CAS # |
121662-14-4
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| Related CAS # |
Ibuprofen;15687-27-1;(S)-(+)-Ibuprofen;51146-56-6;(S)-(+)-Ibuprofen-d3;1329643-44-8;(R)-(-)-Ibuprofen;51146-57-7;Ibuprofen sodium;31121-93-4
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| PubChem CID |
12225947
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
319.6±11.0 °C at 760 mmHg
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| Melting Point |
69-71ºC
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| Flash Point |
216.7±14.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.519
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| LogP |
3.72
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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 |
4
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| Heavy Atom Count |
15
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| Complexity |
203
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C(C1=CC=C(C=C1)CC(C)C)C(=O)O
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| InChi Key |
HEFNNWSXXWATRW-HPRDVNIFSA-N
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| InChi Code |
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3
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| Chemical Name |
3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~100 mg/mL (~477.78 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.94 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (11.94 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (11.94 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.7778 mL | 23.8892 mL | 47.7783 mL | |
| 5 mM | 0.9556 mL | 4.7778 mL | 9.5557 mL | |
| 10 mM | 0.4778 mL | 2.3889 mL | 4.7778 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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