| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Ketorolac D5 targets the same enzymes as its unlabeled parent drug, Ketorolac, which is a non-selective inhibitor of cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2). It acts as a nonselective COX inhibitor, with reported IC50 values of 20 nM for COX-1 and 120 nM for COX-2. By inhibiting these enzymes, it reduces the production of prostaglandins, which are mediators of pain and inflammation.
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|---|---|
| ln Vitro |
In vitro, Ketorolac is a non-selective COX inhibitor with IC50 values of 20 nM for COX-1 and 120 nM for COX-2. It prevents increases in paw swelling in models of inflammation. Ketorolac D5 is used in vitro primarily as an analytical standard to ensure accurate quantification of the parent drug in complex biological samples, facilitating research into its metabolism and pharmacokinetics.
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| ln Vivo |
In vivo, Ketorolac is a potent NSAID used for its analgesic and anti-inflammatory effects. Ketorolac D5 serves as a critical tool in in vivo pharmacokinetic studies. It can be co-administered with unlabeled drug to accurately track absorption, distribution, metabolism, and excretion (ADME) profiles using LC-MS/MS. Its primary in vivo application is as an internal standard for bioanalysis.
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| Enzyme Assay |
In vitro enzyme assays for Ketorolac D5 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 Ketorolac. 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 Ketorolac to Ketorolac D5 against the concentration of Ketorolac.
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| Cell Assay |
For in vitro cell-based assays, Ketorolac D5 can be used in studies investigating the compound's cellular effects, though its primary use is as an analytical internal standard. Cells relevant to inflammation research can be treated with the compound, and its effects on prostaglandin production can be 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 Ketorolac D5 are primarily pharmacokinetic. The compound is administered orally or intravenously to rodents, and blood samples are collected at predetermined time points. Plasma concentrations of both labeled and unlabeled Ketorolac are analyzed by LC-MS/MS using Ketorolac D5 as the internal standard. Pharmacodynamic effects, such as analgesia, can be evaluated, though the labeled compound's primary role is analytical.
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| ADME/Pharmacokinetics |
Ketorolac D5 (CAS: 1215767-66-0) has a molecular weight of 260.29 g/mol and a molecular formula of C15H8D5NO3. It is also known as 5-(Benzoyl-2,3,4,5,6-d5)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. It is a solid and is typically stored in a tightly closed container at room temperature. The D5 label provides a +5 Da mass shift for unambiguous MS resolution.
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| Toxicity/Toxicokinetics |
Ketorolac D5 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 not typically performed on the labeled compound. Ketorolac is generally well-tolerated, with gastrointestinal and renal effects being primary concerns.
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| References | |
| Additional Infomation |
Ketorolac D5 is a stable isotope-labeled internal standard for the nonsteroidal anti-inflammatory drug Ketorolac. It is essential for pharmacokinetic, metabolic, and bioanalytical studies and is used for analytical method development and quality control. It is not intended for human therapeutic use and is for research and analytical use only.
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| Molecular Formula |
C15H8D5NO3
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|---|---|
| Molecular Weight |
260.299
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| Exact Mass |
260.12
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| CAS # |
1215767-66-0
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| Related CAS # |
Ketorolac;74103-06-3;Ketorolac hemicalcium;167105-81-9
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| PubChem CID |
45359002
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| Appearance |
Light brown to brown solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
493.2±40.0 °C at 760 mmHg
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| Flash Point |
252.1±27.3 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.659
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| LogP |
2.08
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
19
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| Complexity |
376
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C2=CC=C3N2CCC3C(=O)O)[2H])[2H]
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| InChi Key |
OZWKMVRBQXNZKK-RALIUCGRSA-N
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| InChi Code |
InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/i1D,2D,3D,4D,5D
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| Chemical Name |
5-(2,3,4,5,6-pentadeuteriobenzoyl)-2,3-dihydro-1H-pyrrolizine-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) |
DMSO : ~25 mg/mL (~96.04 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.60 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 (9.60 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 (9.60 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 | 3.8417 mL | 19.2086 mL | 38.4172 mL | |
| 5 mM | 0.7683 mL | 3.8417 mL | 7.6834 mL | |
| 10 mM | 0.3842 mL | 1.9209 mL | 3.8417 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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