| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Vitamin K epoxide reductase (VKOR) – same as warfarin, but the deuterated form is not used therapeutically. It binds to VKOR and inhibits vitamin K recycling, but only in trace amounts for analytical purposes, it does not exert anticoagulant effects in vivo.
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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].
Not applicable; it is not tested for pharmacological activity. As an analytical standard, it has no direct in vitro effects. However, its chemical reactivity and stability are characterized for quality control. |
| ln Vivo |
Not applicable; it is not administered therapeutically. In pharmacokinetic studies, minute amounts may be dosed to animals to serve as a tracer, but the primary use is as an internal standard.
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| Enzyme Assay |
Not applicable; it is used in LC-MS/MS method development. The compound is dissolved in methanol or acetonitrile to prepare stock solutions, and working standards are spiked into plasma samples. No enzyme or receptor assays are performed.
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| Cell Assay |
Not applicable; it is not used in cell culture. Its role is confined to analytical chemistry.
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| Animal Protocol |
In pharmacokinetic studies, warfarin-d5 may be co-administered with unlabeled warfarin to track the parent drug's metabolism and distribution. Animals receive a single oral or intravenous dose containing a tracer amount; blood samples are collected over time and analyzed by LC-MS/MS to determine warfarin concentrations.
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| ADME/Pharmacokinetics |
As a labeled analog, warfarin-d5 exhibits nearly identical pharmacokinetic properties to warfarin, including high oral bioavailability (>90%), extensive plasma protein binding (>99%), and hepatic metabolism via CYP2C9. Half-life in humans is approximately 40 hours. The deuterium label may slightly alter metabolic rate due to isotope effect, but this is negligible for analytical purposes.
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| Toxicity/Toxicokinetics |
Same as warfarin; potential anticoagulant effect if administered in substantial amounts, but used only in microgram quantities as an internal standard. At tracer doses, no toxicity is expected. Standard safety precautions for handling anticoagulants are recommended.
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| References | |
| Additional Infomation |
Warfarin-d5 is an essential reagent for bioanalytical laboratories performing therapeutic drug monitoring or pharmacokinetic studies of warfarin. It ensures accurate quantification and compensates for matrix effects, ion suppression, and recovery losses. It is not for human therapeutic or diagnostic use; strictly for research and quality control applications.
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| Molecular Formula |
C19H11D5O4
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|---|---|
| Molecular Weight |
313.36
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| Exact Mass |
308.105
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| CAS # |
75472-93-4
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| Related CAS # |
Warfarin;81-81-2
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| PubChem CID |
54727559
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| Appearance |
White to off-white solid powder
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| LogP |
3.609
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
23
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| Complexity |
502
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(CC(=O)C)C2=C(C3=CC=CC=C3OC2=O)O)[2H])[2H]
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| InChi Key |
PJVWKTKQMONHTI-ATTUOBAHSA-N
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| InChi Code |
InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/i2D,3D,4D,7D,8D
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| Chemical Name |
4-hydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one
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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 | 3.1912 mL | 15.9561 mL | 31.9122 mL | |
| 5 mM | 0.6382 mL | 3.1912 mL | 6.3824 mL | |
| 10 mM | 0.3191 mL | 1.5956 mL | 3.1912 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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