| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
The unlabeled parent drug, Venlafaxine, targets the serotonin and norepinephrine transporters (SERT and NET). It functions as a serotonin-norepinephrine reuptake inhibitor (SNRI), blocking the reuptake of these neurotransmitters. The labeled analog is an internal standard used for quantification and does not exert a pharmacological effect.
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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].
Venlafaxine-d6 itself is not used for its own biological activity. Its "in vitro activity" is measured by its ability to serve as a high-quality internal standard, co-eluting with the analyte and providing a distinct mass shift. The unlabeled parent drug is a potent SNRI. |
| ln Vivo |
There is no direct in vivo activity for the labeled standard. It is a research-grade deuterated analog of Venlafaxine. The parent drug is used in vivo to treat major depressive disorder, generalized anxiety disorder, and panic disorder. The labeled form is used to trace the metabolic fate of the parent compound.
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| Enzyme Assay |
As an analytical internal standard, Venlafaxine-d6 is not used in standard binding assays. A typical LC-MS/MS protocol involves adding a known amount of the deuterated standard to a biological sample (e.g., plasma). The sample is then processed (protein precipitation, liquid-liquid extraction) and analyzed by LC-MS/MS, monitoring mass transitions for the unlabeled drug (quantification) and the labeled standard (internal normalization).
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| Cell Assay |
This compound is not used in cell-based experiments for its own activity. In a cellular study of drug metabolism, cells (e.g., primary hepatocytes) are treated with unlabeled Venlafaxine. The deuterated standard is then added to the cell lysate as an internal standard to quantify the amount of Venlafaxine taken up by the cells or the amount of metabolite produced.
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| Animal Protocol |
In an in vivo PK study, animals (e.g., dogs or rats) are administered unlabeled Venlafaxine. Blood samples are drawn at scheduled times post-dose. After plasma separation, a known amount of Venlafaxine-d6 is spiked into each sample. The concentration of Venlafaxine is then determined by LC-MS/MS to calculate key PK parameters like AUC, Cmax, and half-life.
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| ADME/Pharmacokinetics |
Venlafaxine-d6 is not used to determine its own PK properties. It is formulated for analytical use as a solution in methanol or a mixture of acetonitrile and water. Stock solutions are typically stored at -20degC to maintain stability. It is used as a spiking solution at a known, fixed concentration.
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| Toxicity/Toxicokinetics |
General toxicity for the labeled compound is not a significant concern at the trace levels used for analytical internal standards. The unlabeled parent drug, Venlafaxine, has known side effects including nausea, dizziness, hypertension, and serotonin syndrome at high doses. Standard safety precautions for handling pharmaceuticals should be followed.
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| References | |
| Additional Infomation |
Venlafaxine-d6 is a critical tool in clinical pharmacology and bioanalysis. The six deuterium atoms make it a stable isotope-labeled internal standard (SIL-IS), essential for complying with regulatory guidance (e.g., FDA, EMA) for bioanalytical method validation. It ensures the accuracy and reproducibility of drug concentration measurements.
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| Molecular Formula |
C17H21D6NO2
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|---|---|
| Molecular Weight |
283.44
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| Exact Mass |
283.241
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| CAS # |
1020720-02-8
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| Related CAS # |
Venlafaxine;93413-69-5
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| PubChem CID |
45040682
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
397.6±27.0 °C at 760 mmHg
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| Flash Point |
194.2±23.7 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.544
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| LogP |
2.91
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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 |
5
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| Heavy Atom Count |
20
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| Complexity |
279
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C(CN(C)C)C2=CC=C(C=C2)OC)O)[2H]
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| InChi Key |
PNVNVHUZROJLTJ-KETLRHEYSA-N
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| InChi Code |
InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i4D2,5D2,6D2
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| Chemical Name |
3,3,4,4,5,5-hexadeuterio-1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
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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 | 3.5281 mL | 17.6404 mL | 35.2808 mL | |
| 5 mM | 0.7056 mL | 3.5281 mL | 7.0562 mL | |
| 10 mM | 0.3528 mL | 1.7640 mL | 3.5281 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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