| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| 50mg | |||
| Other Sizes |
| Targets |
Not applicable. Desmethylene paroxetine hydrochloride is a drug metabolite, not a pharmacologically active drug itself. Its "target" is related to its formation pathway: it is produced from paroxetine (a serotonin reuptake inhibitor) through enzymatic transformation. However, the metabolite itself does not necessarily retain the serotonin reuptake inhibition activity of the parent drug. It is used as an analytical standard, not as a modulator of biological targets.
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|---|---|
| ln Vitro |
Desmethylene paroxetine hydrochloride is a non-conjugated catechol metabolite of the potent and selective serotonin reuptake inhibitor (SSRI) paroxetine, which has a Ki of 0.72 nM for the serotonin transporter (SERT). While the parent compound paroxetine is highly potent at inhibiting serotonin reuptake, the specific in vitro activity of the desmethylene metabolite has not been characterized and it may or may not retain significant SERT inhibition. It is identified as the major urinary metabolite of paroxetine.
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| ln Vivo |
No specific in vivo data for Desmethylene paroxetine hydrochloride as an administered compound is available. The in vivo activity described is that of the parent drug paroxetine, which is used for the treatment of depression and anxiety disorders. The desmethylene metabolite is formed in vivo following paroxetine administration and is excreted in urine, where it can be measured for toxicological and pharmacokinetic studies. It is not itself administered to produce a pharmacological effect.
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| Enzyme Assay |
Not applicable. Desmethylene paroxetine hydrochloride is a drug metabolite analytical standard. A typical protocol for its quantification in biological samples involves sample preparation (urine or plasma), optionally with enzymatic hydrolysis to deconjugate glucuronidated metabolites, followed by solid-phase extraction (SPE). The extracted sample is analyzed by LC-MS/MS using multiple reaction monitoring (MRM) with a deuterated internal standard (e.g., paroxetine-d6). Calibration curves are prepared from spiked blank matrix standards.
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| Cell Assay |
Not applicable. Desmethylene paroxetine hydrochloride is an analytical standard, not a compound used in cell-based assays as a pharmacological agent. It is used as a reference material to validate LC-MS/MS methods for measuring paroxetine and its metabolites in biological samples from clinical or toxicological studies. The compound itself does not have any known cellular activity that would warrant its direct testing in cell culture systems.
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| Animal Protocol |
Not applicable. Desmethylene paroxetine hydrochloride is a metabolite standard used for analytical chemistry applications. It is not administered to animals for in vivo efficacy studies as a drug. It is, however, measured in biological samples from animals or humans that have been administered the parent drug paroxetine. Typical animal PK studies involve administering paroxetine to rodents and collecting urine, plasma, and tissue samples for metabolite quantification by LC-MS/MS.
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| ADME/Pharmacokinetics |
No specific PK data for Desmethylene paroxetine hydrochloride as an administered compound is available. The pharmacokinetics of the metabolite are determined following parent drug (paroxetine) administration. Paroxetine is extensively metabolized in the liver primarily by CYP2D6. Desmethylene paroxetine is a major urinary metabolite. The half-life of paroxetine is approximately 21 hours in extensive metabolizers. The metabolite's appearance in urine reflects the metabolic clearance of the parent drug.
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| Toxicity/Toxicokinetics |
No toxicity data was found for Desmethylene paroxetine hydrochloride. The safety profile of the parent drug paroxetine is well-established: it is generally well-tolerated but can cause side effects including nausea, dizziness, drowsiness, sexual dysfunction, and weight gain. The metabolite is not associated with specific toxicity. As an analytical standard, it is handled in small quantities with standard laboratory safety precautions.
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| References | |
| Additional Infomation |
Desmethylene paroxetine hydrochloride (CAS: 1394861-12-1) has molecular formula C18H21ClFNO3 and molecular weight 353.82. It is the major urinary metabolite of paroxetine, a potent SSRI (Ki = 0.72 nM). The compound is a non-conjugated catechol intermediate used as an analytical standard for drug metabolism studies, urine drug testing, and forensic toxicology. For research use only, not for human therapeutic applications. Each product in one row, fields tab-separated.
|
| Molecular Formula |
C18H21CLFNO3
|
|---|---|
| Molecular Weight |
353.82
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| Exact Mass |
353.119
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| CAS # |
1394861-12-1
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| PubChem CID |
71315739
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| Appearance |
Typically exists as solids at room temperature
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| Flash Point |
51.8 °F
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| LogP |
0
|
| Hydrogen Bond Donor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
24
|
| Complexity |
362
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
Cl.FC1C=CC(=CC=1)[C@@H]1CCNC[C@H]1COC1C=CC(=C(C=1)O)O
|
| InChi Key |
GIPUDSSHAJOHQK-LINSIKMZSA-N
|
| InChi Code |
InChI=1S/C18H20FNO3.ClH/c19-14-3-1-12(2-4-14)16-7-8-20-10-13(16)11-23-15-5-6-17(21)18(22)9-15;/h1-6,9,13,16,20-22H,7-8,10-11H2;1H/t13-,16-;/m0./s1
|
| Chemical Name |
4-[[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy]benzene-1,2-diol;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 | 2.8263 mL | 14.1315 mL | 28.2630 mL | |
| 5 mM | 0.5653 mL | 2.8263 mL | 5.6526 mL | |
| 10 mM | 0.2826 mL | 1.4131 mL | 2.8263 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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