| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Vitamin K-dependent clotting factors (via vitamin K antagonism).
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|---|---|
| ln Vitro |
In vitro, phenindione D5 exhibits the same anticoagulant properties as unlabeled phenindione, acting as a vitamin K antagonist. The deuterium label does not significantly alter the pharmacological activity but provides a mass difference for analytical detection. Phenindione inhibits the synthesis of vitamin K-dependent clotting factors (Factors II, VII, IX, X).
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| ln Vivo |
In vivo, phenindione D5 is not used as a therapeutic agent; it is used as an analytical internal standard. The pharmacological effects are identical to those of unlabeled phenindione: anticoagulation through vitamin K antagonism. Phenindione is used clinically as an oral anticoagulant.
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| Enzyme Assay |
Phenindione D5 is used as an internal standard for quantification of phenindione and related compounds in biological samples. No specific enzyme/receptor binding assays are performed with the deuterated form. For analytical method development, the compound is spiked into plasma or tissue samples at known concentrations. Samples are extracted by protein precipitation or liquid-liquid extraction and analyzed by LC-MS/MS. The mass shift (D5 labeling provides a +5 Da mass difference) allows differentiation from unlabeled phenindione for accurate quantification.
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| Cell Assay |
Phenindione D5 is not used in cell-based assays as a pharmacological agent. For pharmacokinetic studies, the deuterated compound may be used as an internal standard in cell culture medium to quantify drug uptake or metabolism. Cells are incubated with phenindione and phenindione D5, samples are collected, and drug concentrations are measured by LC-MS/MS.
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| Animal Protocol |
Phenindione D5 is used as an internal standard in pharmacokinetic studies in animal models. Animals are administered unlabeled phenindione, and phenindione D5 is added to plasma or tissue samples as an internal standard before analysis. Blood samples are collected at various time points, processed, and analyzed by LC-MS/MS to determine phenindione concentrations. The deuterated form is not administered to animals as a therapeutic agent.
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| ADME/Pharmacokinetics |
Phenindione D5 has molecular formula C1₅H₅D₅O2 and molecular weight 227.27. The deuterium labeling provides a +5 Da mass shift for LC-MS/MS analysis. The compound is a solid and is stable when stored at appropriate conditions. It is soluble in organic solvents. Purity is typically ≥98% with ≥98% atom% D.
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| Toxicity/Toxicokinetics |
Phenindione D5 is a stable isotope-labeled compound and is not associated with significant toxicity beyond that of unlabeled phenindione. Phenindione itself has anticoagulant activity and can cause bleeding complications at therapeutic doses. The compound is for research use only and not for human therapeutic or diagnostic use.
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| Additional Infomation |
Phenindione D5 is a deuterium-labeled form of the oral anticoagulant phenindione, used as an internal standard in analytical and pharmacokinetic studies. It functions as a vitamin K antagonist, inhibiting the synthesis of vitamin K-dependent clotting factors. The deuterated form provides a mass difference for accurate quantification by LC-MS/MS. Phenindione D5 is not an approved therapeutic agent; it is a research compound for analytical applications.
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| Molecular Formula |
C15H5D5O2
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|---|---|
| Molecular Weight |
227.2690
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| Exact Mass |
227.099
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| CAS # |
70711-53-4
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| Related CAS # |
Phenindione;83-12-5
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| PubChem CID |
92044429
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| Appearance |
White to off-white solid powder
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| LogP |
2.849
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
17
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| Complexity |
304
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2C(=O)C3=CC=CC=C3C2=O)[2H])[2H]
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| InChi Key |
NFBAXHOPROOJAW-FSTBWYLISA-N
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| InChi Code |
InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H/i1D,2D,3D,6D,7D
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| Chemical Name |
2-(2,3,4,5,6-pentadeuteriophenyl)indene-1,3-dione
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | 4.4001 mL | 22.0003 mL | 44.0005 mL | |
| 5 mM | 0.8800 mL | 4.4001 mL | 8.8001 mL | |
| 10 mM | 0.4400 mL | 2.2000 mL | 4.4001 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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