| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Serotonin transporter (SERT) and norepinephrine transporter (NET). Desvenlafaxine is a serotonin-norepinephrine reuptake inhibitor (SNRI). The deuterated standard is an analytical reference material without pharmacological activity in research use.
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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].
As a deuterated internal standard for LC-MS/MS analysis, no direct in vitro pharmacological activity is relevant. The non-deuterated parent compound desvenlafaxine inhibits hSERT and hNET with IC50 values of 47.3 nM and 531.3 nM, respectively. It is an orally active, BBB-penetrating SNRI antidepressant. The deuterated analog co-elutes with desvenlafaxine but is used only for quantification. |
| ln Vivo |
No in vivo activity is relevant for desvenlafaxine-d6 as it is an analytical standard. Desvenlafaxine-d6 is specifically designed as an internal standard for the quantification of O-desvenlafaxine (desvenlafaxine) levels in biological samples such as urine, plasma, and serum. It is used for pharmacokinetic studies, clinical toxicology, urine drug testing, and forensic analysis.
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| Enzyme Assay |
Cell-free binding assays are not applicable for desvenlafaxine-d6 as it is an analytical internal standard. For bioanalytical method validation, desvenlafaxine-d6 is added to blank biological matrices at known concentrations (e.g., 10-100 ng/mL). Samples are processed by protein precipitation, liquid-liquid extraction, or SPE and analyzed by LC-MS/MS or GC-MS. The deuterium label provides a mass shift of +6 Da, enabling resolution from the non-deuterated analyte.
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| Cell Assay |
Cell-based assays are not performed for desvenlafaxine-d6. The compound is used exclusively as an analytical reference material in bioanalytical workflows. For method development, desvenlafaxine-d6 is spiked into biological samples prior to extraction to correct for matrix effects, extraction recovery, and ionization efficiency. No cellular activity or cytotoxicity assessments are conducted.
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| Animal Protocol |
For bioanalytical method validation in PK studies, biological samples containing O-desmethylvenlafaxine (desvenlafaxine) are spiked with desvenlafaxine-d6 as the internal standard. Samples are processed by protein precipitation with acetonitrile or methanol, followed by LC-MS/MS or GC-MS analysis. The deuterated internal standard corrects for variability in sample preparation, chromatographic retention, and mass spectrometry ionization. The certified reference solution is typically provided at 100 ug/mL in methanol.
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| ADME/Pharmacokinetics |
Desvenlafaxine-d6 is an analytical standard, not a therapeutic agent. As a deuterated internal standard, it exhibits identical extraction recovery, chromatographic retention, and ionization efficiency as desvenlafaxine. It is available as a certified reference material at 100 ug/mL in methanol in 1 mL ampules. Storage: refrigerated (4degC). The compound has a molecular weight of 269.41 g/mol (C16H19D6NO2). Purity ≥98%. For research and forensic use only.
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| Toxicity/Toxicokinetics |
No toxicity data are reported for desvenlafaxine-d6 as it is not administered to animals or humans. Standard safety data for the non-deuterated parent compound desvenlafaxine include nausea, dizziness, insomnia, dry mouth, and increased blood pressure at high doses. The deuterated analog is not evaluated for toxicological endpoints and is for research use only, not for therapeutic or diagnostic applications in humans.
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| References |
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| Additional Infomation |
Other information: Desvenlafaxine-d6 is a certified reference material suitable for use as an internal standard for quantitation of O-desmethylvenlafaxine (desvenlafaxine) levels in urine or isotope dilution methods by LC/MS or GC/MS for clinical toxicology, urine drug testing, or forensic analysis. CAS number: 1062605-69-9. The parent compound desvenlafaxine is marketed as Pristiq® for the treatment of depression. It is an SNRI antidepressant. This product is for research use only.
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| Molecular Formula |
C16H19D6NO2
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|---|---|
| Molecular Weight |
269.41
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| Exact Mass |
269.226
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| CAS # |
1062605-69-9
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| PubChem CID |
25226275
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
2.732
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
19
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| Complexity |
266
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C(N(C([2H])([2H])[2H])CC(C1(CCCCC1)O)C1=CC=C(O)C=C1)([2H])[2H]
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| InChi Key |
KYYIDSXMWOZKMP-WFGJKAKNSA-N
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| InChi Code |
InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/i1D3,2D3
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| Chemical Name |
4-[2-[bis(trideuteriomethyl)amino]-1-(1-hydroxycyclohexyl)ethyl]phenol
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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 | 3.7118 mL | 18.5591 mL | 37.1181 mL | |
| 5 mM | 0.7424 mL | 3.7118 mL | 7.4236 mL | |
| 10 mM | 0.3712 mL | 1.8559 mL | 3.7118 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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