| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Paroxetine-d4 HCl targets the serotonin transporter (SERT), which is responsible for the reuptake of serotonin from the synaptic cleft. Paroxetine is a potent and selective SSRI that inhibits serotonin reuptake, thereby increasing serotonin levels in the synaptic cleft and enhancing serotonergic neurotransmission. The deuterated form is used as an analytical standard.
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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].
In vitro, Paroxetine-d4 HCl is used as a tracer to study serotonin transporter inhibition and serotonin signaling. The compound does not exhibit intrinsic pharmacological activity beyond that of Paroxetine but serves as a quantitative tool for studying SERT inhibition and drug metabolism in cell-based systems. |
| ln Vivo |
In vivo, Paroxetine-d4 HCl is used in pharmacokinetic and pharmacodynamic studies to trace the distribution and metabolism of Paroxetine in animal models. The deuterium label allows for precise quantification of the drug and its metabolites in plasma and tissues using mass spectrometry. Paroxetine is used in the treatment of depression and anxiety disorders.
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| Enzyme Assay |
As an internal standard, Paroxetine-d4 HCl is used in analytical assays such as LC-MS/MS. Typical protocols involve spiking the labeled compound into biological samples prior to extraction and analysis. The labeled compound co-elutes with the unlabeled Paroxetine but is detected at a different mass-to-charge ratio, allowing for precise quantification and correction for matrix effects.
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| Cell Assay |
In vitro cell-based experiments using Paroxetine-d4 HCl involve treating neuronal cells with the compound and analyzing its uptake and metabolism by mass spectrometry. The compound can be used to study serotonin transporter function and the pharmacokinetics of Paroxetine in various cell types.
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| Animal Protocol |
In vivo animal studies using Paroxetine-d4 HCl involve administering the compound to rodents via oral gavage. Blood samples are collected at various time points, and the concentration of the labeled compound is measured by mass spectrometry. Tissue distribution and metabolic profiling can also be performed.
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| ADME/Pharmacokinetics |
Paroxetine-d4 HCl exhibits pharmacokinetic properties similar to those of unlabeled Paroxetine hydrochloride. Paroxetine is orally bioavailable and has good brain penetration. It is metabolized in the liver and excreted primarily in urine. The deuterium label provides a distinct mass shift for analytical detection.
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| Toxicity/Toxicokinetics |
Paroxetine-d4 HCl is considered safe for research use at typical concentrations. Paroxetine has a well-established safety profile as an approved SSRI but can cause adverse effects such as gastrointestinal disturbances and sexual dysfunction. As a stable isotope-labeled compound, it is not intended for therapeutic use.
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| References |
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| Additional Infomation |
Paroxetine-d4 HCl has a molecular formula of C19H17D4ClFNO3 and a molecular weight of 368.86. It is the deuterium-labeled form of Paroxetine hydrochloride, a potent and selective SSRI. The compound is intended for use as an internal standard for the quantification of Paroxetine by GC- or LC-MS in pharmacokinetic studies.
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| Molecular Formula |
C19H21CLFNO3
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|---|---|
| Molecular Weight |
365.82634806633
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| Exact Mass |
369.144
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| CAS # |
2714485-95-5
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| Related CAS # |
Paroxetine hydrochloride;78246-49-8
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| PubChem CID |
76973866
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
25
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| Complexity |
402
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C([C@@H]1CNCC[C@H]1C1C([H])=C([H])C(F)=C([H])C=1[H])OC1=CC=C2OCOC2=C1.Cl
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| InChi Key |
GELRVIPPMNMYGS-TYPQLLAASA-N
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| InChi Code |
InChI=1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m0./s1/i1D,2D,3D,4D;
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| Chemical Name |
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(2,3,5,6-tetradeuterio-4-fluorophenyl)piperidine;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 | 2.7335 mL | 13.6676 mL | 27.3351 mL | |
| 5 mM | 0.5467 mL | 2.7335 mL | 5.4670 mL | |
| 10 mM | 0.2734 mL | 1.3668 mL | 2.7335 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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