| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Citalopram-d6 targets the same molecular target as its non-deuterated form, the serotonin transporter (SERT). Citalopram is a potent and selective inhibitor of SERT, blocking the reuptake of serotonin (5-HT) from the synaptic cleft into the presynaptic neuron. This increases serotonin levels in the synapse, enhancing serotonergic neurotransmission. Citalopram has negligible affinity for other neurotransmitter transporters and receptors, contributing to its selectivity. The labeled compound is used as a tracer to study the pharmacokinetics and metabolism of citalopram.
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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].
The deuterated compound itself does not possess intrinsic pharmacological activity in vitro; its biological activity is identical to that of citalopram. Citalopram is a potent inhibitor of SERT with a Kᵢ of approximately 1-2 nM. In vitro studies have demonstrated that citalopram effectively inhibits serotonin uptake in cells expressing SERT. Citalopram is highly selective for SERT compared to other transporters (dopamine and norepinephrine transporters). The labeled compound is used as an internal standard for quantifying citalopram in biological samples. |
| ln Vivo |
Citalopram-d6 is not used as a therapeutic agent; its non-deuterated form, citalopram, is an orally active SSRI used in the treatment of major depressive disorder, anxiety disorders, and obsessive-compulsive disorder. Citalopram is well-absorbed after oral administration and has a half-life of approximately 35 hours. It is metabolized in the liver via cytochrome P450 2C19, 3A4, and 2D6 to demethylated metabolites. The labeled compound is used in pharmacokinetic studies to accurately measure citalopram concentrations in plasma and other biological matrices.
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| Enzyme Assay |
In vitro receptor binding assays for citalopram-d6 are not standard, as it is an analytical standard. The SERT inhibitory activity of its non-deuterated form is assessed using serotonin uptake assays in cells or synaptosomes expressing SERT. Cells are incubated with [³H]serotonin and varying concentrations of citalopram, and the amount of serotonin taken up is measured by scintillation counting. IC₅₀ values are calculated from dose-response curves. The labeled compound is used as an internal standard for LC-MS/MS analysis.
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| Cell Assay |
In vitro cell culture experiments are not performed with citalopram-d6. When studying the effects of citalopram in cellular systems, the non-labeled compound is used. Cells expressing SERT are treated with citalopram, and serotonin uptake or downstream signaling pathways are measured. The labeled compound is used as an internal standard for LC-MS/MS analysis of citalopram concentrations in cell culture media or lysates.
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| Animal Protocol |
In vivo animal studies with citalopram-d6 are not conducted, as it is an analytical standard. When used in pharmacokinetic studies, the labeled compound serves as an internal standard for the quantification of citalopram in animal plasma or tissue samples. In typical protocols, animals are administered citalopram, and blood samples are collected at various time points. The labeled internal standard is added to the samples before analysis by LC-MS/MS to ensure accurate and precise quantification.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of citalopram-d6 itself are not characterized, as it is not a drug substance. Citalopram has a bioavailability of approximately 80% after oral administration, with a half-life of 35 hours in humans. It is metabolized primarily by cytochrome P450 2C19, 3A4, and 2D6 to demethylated metabolites. Citalopram is excreted in urine (60%) and feces (40%). The deuterated compound is used as an internal standard to accurately quantify citalopram in pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
Citalopram-d6 is not a therapeutic agent and has not been evaluated for toxicity in humans. Its non-deuterated form, citalopram, is generally well-tolerated, with common side effects including nausea, dry mouth, somnolence, and sexual dysfunction. Serious side effects include QT prolongation and serotonin syndrome. The deuterated compound is for research use only and should be handled with standard laboratory precautions.
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| References | |
| Additional Infomation |
Citalopram-d6 is a stable isotope-labeled internal standard used in pharmacokinetic and metabolic studies of citalopram. It is also known as citalopram-d6. The compound is used in analytical method development, method validation, and quality control applications for generic drug products. The incorporation of deuterium allows for accurate quantification of citalopram in biological samples using mass spectrometry.
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| Molecular Formula |
C20H15D6FN2O
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|---|---|
| Molecular Weight |
330.43
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| Exact Mass |
410.127
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| CAS # |
1190003-26-9
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| Related CAS # |
Citalopram;59729-33-8;Citalopram-d4 hydrobromide;1219803-58-3;Citalopram-d6 oxalate;1246819-94-2
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| PubChem CID |
45038689
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| Appearance |
Typically exists as solid at room temperature
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| Flash Point |
9℃
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
24
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| Complexity |
466
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C(N(C([2H])([2H])[2H])CCCC1(C2=CC=C(F)C=C2)OCC2C=C(C#N)C=CC1=2)([2H])[2H].Br
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| InChi Key |
WSEQXVZVJXJVFP-WFGJKAKNSA-N
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| InChi Code |
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/i1D3,2D3
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| Chemical Name |
1-[3-[bis(trideuteriomethyl)amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
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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 | 3.0264 mL | 15.1318 mL | 30.2636 mL | |
| 5 mM | 0.6053 mL | 3.0264 mL | 6.0527 mL | |
| 10 mM | 0.3026 mL | 1.5132 mL | 3.0264 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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