| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Econazole-d6 does not have a specific biological target in the context of analytical use. It serves as an internal standard for its unlabeled counterpart, Econazole. When used in mass spectrometry, the deuterium atoms provide a mass shift of +6 Da, allowing the mass spectrometer to distinguish the standard from the analyte (unlabeled drug) despite identical chemical separation properties. The "target" is the mass spectrometer's detector. It corrects for sample preparation variability, matrix effects, and ionization efficiency, ensuring accurate quantification of Econazole concentrations.
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| ln Vitro |
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Studies involving the human use of drugs labeled with deuterium suggest that these compounds may offer some advantages when compared with their nondeuterated counterparts. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. Deutetrabenazine is the first deuterated drug to receive Food and Drug Administration approval. This deuterated form of the drug tetrabenazine is indicated for the treatment of chorea associated with Huntington's disease as well as tardive dyskinesia. Ongoing clinical trials suggest that a number of other deuterated compounds are being evaluated for the treatment of human diseases and not merely as research tools.
In vitro, Econazole-d6 is not used as a drug in biological assays; it is an analytical tool. It is chemically identical to Econazole in terms of receptor binding and antifungal activity but is not used for that purpose due to cost. When spiked into plasma (e.g., 10-50 ng/mL), it is processed identically to the analyte. Its "activity" is the generation of a specific mass-to-charge ratio (m/z) peak. It is inert and does not affect fungal growth in culture. It is used in method validation to establish linearity, accuracy (recovery), and precision of the analytical assay. |
| ln Vivo |
Deuterated compounds may, in some cases, offer advantages over nondeuterated forms, often through alterations in clearance. Deuteration may also redirect metabolic pathways in directions that reduce toxicities. The approval of additional deuterated compounds may soon follow. Clinicians will need to be familiar with the dosing, efficacy, potential side effects, and unique metabolic profiles of these new entities.
In vivo, Econazole-d6 is not administered to humans or animals as a therapeutic. It is used as an ex vivo internal standard. In a pharmacokinetic study, animals or humans receive unlabeled Econazole (e.g., topical or IV). Blood samples are collected over time. Immediately after collection, a known amount of Econazole-d6 is added to the plasma. The ratio of Econazole to Econazole-d6 is measured by LC-MS/MS to calculate the concentration of the parent drug. This is the gold standard method for quantifying drug exposure (AUC). |
| Cell Assay |
General protocol for in vitro analytical use: Prepare a 1 mg/mL stock solution of Econazole-d6 in methanol. Prepare calibration standards in blank plasma (100 uL) with unlabeled Econazole at concentrations of 0.1, 0.5, 1, 5, 10, 50, 100, 500 ng/mL. Add 10 uL of internal standard solution (Econazole-d6, 100 ng/mL) to each calibrator and sample. Perform protein precipitation with 300 uL of acetonitrile. Vortex, centrifuge, and inject 5 uL of supernatant onto an LC-MS/MS (C18 column). Monitor transitions: Econazole (m/z 382 → 145) and Econazole-d6 (m/z 388 → 151). Calculate the peak area ratio.
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| Animal Protocol |
General protocol for in vivo animal experiments: For a PK study, apply unlabeled Econazole (1% cream) topically to the skin of rats (200 mg). Collect blood at 0, 1, 2, 4, 8, 12, 24 h. Centrifuge to obtain plasma. To 100 uL of plasma, add 10 uL of Econazole-d6 (1 ug/mL). Extract with acetonitrile. Analyze by LC-MS/MS. Calculate the plasma concentration. This will determine the absorption of the drug through the skin. For IV dosing, dissolve Econazole in DMSO/PBS and inject (5 mg/kg). Collect blood for 12 h.
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| ADME/Pharmacokinetics |
General pharmacokinetic properties: Econazole-d6 has a molecular weight of 388.1 (M+6). It is highly lipophilic (LogP ~4). It is insoluble in water but soluble in DMSO and ethanol. Unlabeled Econazole is extensively metabolized by CYP450. The deuterated standard is stable and does not undergo isotopic back-exchange in biological matrices. For storage, the compound is supplied as a solid and should be stored at -20degC, protected from light. Stock solutions in DMSO are stable for up to 6 months at -80degC.
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| Toxicity/Toxicokinetics |
General toxicity profile: Econazole-d6 is a stable isotope label and is considered non-toxic at the minute concentrations used as an internal standard (ng/mL). However, the parent compound, Econazole, is a topical antifungal and is generally well-tolerated locally. Systemically, it can cause hepatotoxicity at high doses. As a chemical standard, standard laboratory safety precautions (gloves, lab coat) should be taken to avoid contact, as it can be a skin irritant.
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| References |
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| Additional Infomation |
Econazole-d6 is also known as (R,S)-Econazole-d6. It is widely used in the pharmaceutical industry to support regulatory submissions for generic formulations of Econazole. It ensures accurate and reproducible quantification of the drug in biological matrices. For research use only. Not for human consumption.
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| Molecular Formula |
C18H9D6CL3N2O
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|---|---|
| Molecular Weight |
387.72
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| Exact Mass |
386.063
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| CAS # |
2469273-40-1
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| Related CAS # |
Econazole; 27220-47-9
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| PubChem CID |
139024762
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| Appearance |
Typically exists as solids at room temperature
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
24
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| Complexity |
379
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1C([2H])([2H])OC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)[2H])[2H])Cl)[2H]
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| InChi Key |
LEZWWPYKPKIXLL-QDNZDXMCSA-N
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| InChi Code |
InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/i1D,2D,3D,4D,11D2
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| Chemical Name |
1-[2-[(4-chloro-2,3,5,6-tetradeuteriophenyl)-dideuteriomethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
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| Synonyms |
(±)-Econazole-d6
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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 | 2.5792 mL | 12.8959 mL | 25.7918 mL | |
| 5 mM | 0.5158 mL | 2.5792 mL | 5.1584 mL | |
| 10 mM | 0.2579 mL | 1.2896 mL | 2.5792 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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