| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Desethoxy Quetiapine does not have a well-defined biological target as a research impurity. The parent drug quetiapine is an antagonist of multiple neurotransmitter receptors, including serotonin 5-HT2A, dopamine D2, histamine H1, and adrenergic alpha1/alpha2 receptors. Its antipsychotic activity is primarily mediated through 5-HT2A and D2 antagonism. Desethoxy quetiapine, lacking the ethoxy group, may have altered receptor binding profile and reduced activity compared to quetiapine. It serves primarily as an analytical standard.
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| ln Vitro |
Desethoxy Quetiapine has no reported in vitro activity data as a pharmacological agent. It may be used in receptor binding assays to compare with quetiapine. In radioligand binding assays, quetiapine has Ki values of ~300 nM for D2 and ~30 nM for 5-HT2A. The desethoxy analog likely has lower affinity. No specific IC50 values are available. For research use only.
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| ln Vivo |
No in vivo activity data are available for Desethoxy Quetiapine as a pure compound. It is not administered to animals for efficacy studies. It is used primarily as a reference standard for impurity profiling. Its presence in quetiapine drug substance is controlled at low levels (typically <0.1-0.5%). For research use only.
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| Enzyme Assay |
Not applicable. Desethoxy Quetiapine is an analytical reference standard. For non-cellular characterization, a standard HPLC method is used: dissolve the compound in methanol or acetonitrile to 0.5 mg/mL. Inject onto a C18 column (250×4.6 mm, 5 microm). Mobile phase: 0.1% formic acid in water (A) and acetonitrile (B). Gradient: 20% B to 80% B over 25 min. Flow rate: 1.0 mL/min, UV detection at 254 nm. Retention time is approximately 10-12 min. For LC-MS/MS, positive ESI mode, m/z 340 [M+H]+. Purity >95%. No enzyme assays.
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| Cell Assay |
Not applicable. This compound is not used in cell-based biological assays. It is a chemical reference standard. For cell culture studies, the parent drug quetiapine would be used, but not this impurity. For research use only.
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| Animal Protocol |
Not applicable. This compound is not used for in vivo animal studies. It is a reference standard for chemical analysis. No animal dosing or efficacy studies are performed. For research use only.
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| ADME/Pharmacokinetics |
Not applicable. This impurity is not a drug candidate; its PK properties are not characterized. The parent drug quetiapine has oral bioavailability of ~100%, Tmax of 1.5 h, terminal half-life (t½) of ~6 h, and is extensively metabolized by CYP3A4. For storage, powder at -20degC for up to 3 years, protected from light and moisture. Solubility: DMSO.
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| Toxicity/Toxicokinetics |
No toxicity data are available. Standard laboratory safety precautions: avoid inhalation, ingestion, skin/eye contact; use PPE; work in a fume hood. For research use only-not for human use.
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| Additional Infomation |
CAS: 329216-67-3. Molecular formula: C19H21N3OS, molecular weight: 339.46. Also known as Quetiapine Impurity, Desethoxy Quetiapine. Purity: >95% by HPLC. Storage: -20degC. Use: pharmaceutical reference standard. Not for human use. For research only.
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| Molecular Formula |
C19H21N3OS
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|---|---|
| Molecular Weight |
339.46
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| Exact Mass |
339.141
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| CAS # |
329216-67-3
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| Related CAS # |
Desethoxy Quetiapine dihydrochloride
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| PubChem CID |
10807021
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
450
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCN1CCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
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| InChi Key |
OFLMIXVKBNAUIB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H21N3OS/c23-14-13-21-9-11-22(12-10-21)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20-19/h1-8,23H,9-14H2
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| Chemical Name |
2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanol
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| Synonyms |
Quetiapine hydroxy impurity
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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 | 2.9459 mL | 14.7293 mL | 29.4586 mL | |
| 5 mM | 0.5892 mL | 2.9459 mL | 5.8917 mL | |
| 10 mM | 0.2946 mL | 1.4729 mL | 2.9459 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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