| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
| Targets |
Not applicable; Menadione-d3 is a stable isotope-labeled internal standard for analytical quantification, not a pharmacologically active drug targeting specific biological receptors. The unlabeled parent compound menadione (vitamin K3) is an inhibitor of human tissue transglutaminase 2 (TGM2) with an IC₅0 of 2.2 uM, and induces cell death in neuroblastoma cell lines (IC₅0s = 3.18-7.09 uM), as well as in HUVECs and HDFs (IC₅0s = 6.1 and 18.05, respectively). Menadione also decreases proliferation and inhibits migration in a wound healing assay in primary conjunctival fibroblasts at 2, 4, or 6 mg/L. However, Menadione-d3 is used solely as an internal standard.
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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].
Menadione-d3 is intended for use as an internal standard and does not directly exert pharmacological effects in vitro. The unlabeled menadione (vitamin K3) is a synthetic naphthoquinone that inhibits human tissue transglutaminase 2 (TGM2) with an IC₅0 of 2.2 uM. Menadione also induces cell death in six neuroblastoma cell lines (IC₅0s = 3.18-7.09 uM), as well as in HUVECs and HDFs (IC₅0s = 6.1 and 18.05, respectively). It decreases proliferation and inhibits migration in a wound healing assay in primary conjunctival fibroblasts when used at concentrations of 2, 4, or 6 mg/L. Menadione-d3 is not typically tested for biological activity. |
| ln Vivo |
Menadione-d3 is not intended for in vivo use as a therapeutic agent but serves as an internal standard in pharmacokinetic and metabolism studies. The unlabeled menadione (vitamin K3) is a synthetic form of vitamin K that is converted to active vitamin K2 in the body. Menadione has been studied for its potential anticoagulant effects and its role in blood coagulation. However, Menadione-d3 is used as an analytical standard to quantify menadione levels in biological samples by mass spectrometry, enabling pharmacokinetic studies of menadione and vitamin K metabolism. For research use only.
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| Enzyme Assay |
For quantitative GC-MS or LC-MS analysis of menadione, prepare a stock solution of Menadione-d3 in DMSO or ethanol at 1 mg/mL. Spike a known amount (e.g., 10-100 ng/mL) of the deuterated standard into biological samples (plasma, serum, urine, tissue homogenates). For LC-MS, separate on a C18 reverse-phase column using a mobile phase of water and methanol (or acetonitrile) with 0.1% formic acid. Detect by positive ion electrospray ionization (ESI+) and multiple reaction monitoring (MRM). Typical transitions: menadione m/z 173 → 105; Menadione-d3 m/z 176 → 108 (mass shift of +3 due to three deuterium atoms). Quantify by isotope dilution using the peak area ratio of menadione to Menadione-d3 against a calibration curve.
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| Cell Assay |
For cell-based quantification of menadione, culture cells (e.g., neuroblastoma cells, fibroblasts) in appropriate medium. Treat cells with unlabeled menadione at various concentrations (e.g., 1-100 uM). Harvest cells at designated time points, wash with PBS, and lyse cells in methanol/water. Add Menadione-d3 as an internal standard at a known concentration (e.g., 50 ng/mL). Centrifuge to remove debris, filter the supernatant, and analyze by LC-MS/MS as described above. Quantify endogenous or exogenous menadione levels by comparing the peak area ratio of menadione to Menadione-d3 against a calibration curve. This method allows measurement of cellular uptake and metabolism of menadione.
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| Animal Protocol |
For in vivo pharmacokinetic studies, administer unlabeled menadione (vitamin K3) to animals (e.g., rats, mice) by oral gavage or intravenous injection at specific doses (e.g., 1-10 mg/kg). Collect blood samples at multiple time points (0, 0.5, 1, 2, 4, 6, 8, 12, 24 h) into heparinized or EDTA-coated tubes. Centrifuge to obtain plasma. Add Menadione-d3 internal standard (e.g., 50-100 ng/mL) to each plasma sample. Precipitate proteins with acetonitrile, centrifuge, and analyze the supernatant by LC-MS/MS. Calculate pharmacokinetic parameters including Cmax, Tmax, AUC, half-life, clearance, and bioavailability using non-compartmental analysis. The deuterated internal standard ensures accurate quantification by correcting for matrix effects.
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| ADME/Pharmacokinetics |
Menadione-d3: Molecular formula C11H₅D3O2. Molecular weight: 175.20 g/mol (unlabeled menadione 172.18). Appearance: Light yellow to yellow solid. Purity: ≥99% deuterated forms (d1-d3). Solubility: DMSO sparingly soluble 1-10 mg/ml, Ethanol sparingly soluble 1-10 mg/ml. Storage: Store powder at -20degC. In solution, store at -80degC for 6 months, at -20degC for 1 month. Shipping: Room temperature. It is also known as Vitamin K3-d3, 2-(methyl-d3)-1,4-naphthalenedione. The compound has a CAS number of 5172-16-7 and unlabeled CAS of 58-27-5.
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| Toxicity/Toxicokinetics |
Menadione-d3 has low toxicity at typical analytical working concentrations (ng/mL to ug/mL). The unlabeled parent compound menadione (vitamin K3) has known toxicity at high doses, including hemolytic anemia, hepatotoxicity, and potential neurotoxicity. It can also cause skin and eye irritation. Standard laboratory safety precautions should be followed when handling the pure compound: wear appropriate personal protective equipment (lab coat, gloves, safety glasses), avoid inhalation of powder and contact with skin/eyes, wash hands thoroughly after handling. Menadione is light-sensitive and should be protected from light. Not for human therapeutic use. Always consult the Safety Data Sheet (SDS) for detailed safety information. For research use only.
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| References | |
| Additional Infomation |
Menadione-d3 (Vitamin K3-d3) is the deuterium-labeled form of menadione (vitamin K3), a synthetic naphthoquinone that lacks the isoprenoid side chain of natural vitamin K. It is intended for use as an internal standard for the quantification of vitamin K3 by GC- or LC-MS. Menadione (unlabeled) is an inhibitor of human tissue transglutaminase 2 (TGM2; IC₅0 = 2.2 uM) and induces cell death in various cell lines. Menadione is also converted to active vitamin K2 in the body and plays a role in blood coagulation. The deuterated version is a high-purity analytical standard for research use only, not for human use. The product has a purity of ≥99% deuterated forms (d1-d3).
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| Molecular Formula |
C11H5D3O2
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|---|---|
| Molecular Weight |
175.20
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| Exact Mass |
175.071
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| CAS # |
5172-16-7
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| Related CAS # |
Menadione;58-27-5
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| PubChem CID |
102600930
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
304.5±42.0 °C at 760 mmHg
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| Flash Point |
113.8±24.9 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.593
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| LogP |
2.38
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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 |
0
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| Heavy Atom Count |
13
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| Complexity |
289
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C1=CC(=O)C2=CC=CC=C2C1=O
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| InChi Key |
MJVAVZPDRWSRRC-FIBGUPNXSA-N
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| InChi Code |
InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3/i1D3
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| Chemical Name |
2-(trideuteriomethyl)naphthalene-1,4-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 |
| 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: ≥ 125 mg/mL (713.47 mM)
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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 | 5.7078 mL | 28.5388 mL | 57.0776 mL | |
| 5 mM | 1.1416 mL | 5.7078 mL | 11.4155 mL | |
| 10 mM | 0.5708 mL | 2.8539 mL | 5.7078 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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