| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Trazodone-d6 hydrochloride targets the same molecular targets as its non-deuterated form, trazodone. Trazodone is a serotonin receptor antagonist and reuptake inhibitor that exerts its antidepressant effects primarily through antagonism of 5-HT₂A receptors and inhibition of the serotonin transporter (SERT). It also has antagonistic properties against α₁- and α₂-adrenergic receptors and histamine H₁ receptors, with minimal anticholinergic effects. The labeled compound is used as a tracer to study the pharmacokinetics and metabolism of trazodone.
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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 trazodone. Trazodone is a potent 5-HT₂A receptor antagonist with a Kᵢ of approximately 35 nM and inhibits serotonin reuptake with an IC₅₀ of approximately 200 nM. In vitro studies have demonstrated that trazodone effectively blocks serotonin-induced calcium mobilization in cells expressing 5-HT₂A receptors. The labeled compound is used as an internal standard for quantifying trazodone in biological samples, not for evaluating its own pharmacological activity. |
| ln Vivo |
Trazodone-d6 hydrochloride is not used as a therapeutic agent; its non-deuterated form, trazodone, is an orally active antidepressant used for the treatment of major depressive disorder and anxiety disorders. Trazodone also has sedative properties and is sometimes used off-label for insomnia. In vivo, trazodone is well-absorbed after oral administration and undergoes extensive hepatic metabolism via cytochrome P450 3A4. The labeled compound is used in pharmacokinetic studies to accurately measure trazodone concentrations in plasma and other biological matrices.
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| Enzyme Assay |
In vitro receptor binding assays for trazodone-d6 hydrochloride are not standard, as it is an analytical standard. However, the activity of its non-deuterated form can be assessed using competition binding assays with [³H]ketanserin for 5-HT₂A receptors or [³H]citalopram for SERT. Membranes prepared from cells expressing the target receptors are incubated with varying concentrations of trazodone and the radioligand. Non-specific binding is determined in the presence of excess unlabeled ligand. Bound radioactivity is separated by filtration and quantified by scintillation counting. IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
In vitro cell culture experiments are not performed with trazodone-d6 hydrochloride. When studying the effects of trazodone in cellular systems, the non-labeled compound is used. Cells expressing serotonin receptors or the serotonin transporter are treated with trazodone at concentrations ranging from 0.1 to 100 µM, and downstream signaling pathways (e.g., calcium mobilization, cAMP levels) are measured. The labeled compound is used as an internal standard for LC-MS/MS analysis of trazodone concentrations in cell culture media or lysates.
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| Animal Protocol |
In vivo animal studies with trazodone-d6 hydrochloride 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 trazodone in animal plasma or tissue samples. In typical protocols, animals (e.g., rats or dogs) are administered trazodone, 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 trazodone-d6 hydrochloride itself are not characterized, as it is not a drug substance. Trazodone has a bioavailability of approximately 60-80% after oral administration, with a half-life of 6-10 hours in humans. It is metabolized primarily by cytochrome P450 3A4 to its active metabolite, m-chlorophenylpiperazine (mCPP). Trazodone is excreted in urine and feces. The deuterated compound is used as an internal standard to accurately quantify trazodone in pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
Trazodone-d6 hydrochloride is not a therapeutic agent and has not been evaluated for toxicity in humans. Its non-deuterated form, trazodone, is generally well-tolerated, with common side effects including sedation, dizziness, dry mouth, and headache. Rare but serious side effects include priapism and cardiac arrhythmias. The deuterated compound is for research use only and should be handled with standard laboratory precautions, including the use of gloves and safety glasses.
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| References | |
| Additional Infomation |
Trazodone-d6 hydrochloride is a stable isotope-labeled internal standard used in pharmacokinetic and metabolic studies of trazodone. It is also known as AF-1161-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 trazodone in biological samples using mass spectrometry.
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| Molecular Formula |
C19H17D6CL2N5O
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|---|---|
| Molecular Weight |
414.36
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| Exact Mass |
413.166
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| CAS # |
1181578-71-1
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| Related CAS # |
Trazodone hydrochloride;25332-39-2;Trazodone;19794-93-5
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| PubChem CID |
45040566
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| Appearance |
White to off-white solid powder
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| LogP |
3.166
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
611
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])(C([2H])([2H])N1CCN(CC1)C2=CC(=CC=C2)Cl)C([2H])([2H])N3C(=O)N4C=CC=CC4=N3.Cl
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| InChi Key |
OHHDIOKRWWOXMT-BHIQTGFXSA-N
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| InChi Code |
InChI=1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H/i4D2,8D2,10D2;
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| Chemical Name |
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,2,2,3,3-hexadeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
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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 | 2.4134 mL | 12.0668 mL | 24.1336 mL | |
| 5 mM | 0.4827 mL | 2.4134 mL | 4.8267 mL | |
| 10 mM | 0.2413 mL | 1.2067 mL | 2.4134 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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