| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Quetiapine D4 hemifumarate targets the same receptors as its unlabeled parent drug. Quetiapine hemifumarate is a 5-HT receptors agonist and a dopamine receptor antagonist. It has antidepressant and anxiolytic effects. The deuterium labeling does not significantly alter target binding.
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| ln Vitro |
Quetiapine D4 hemifumarate is primarily used as an analytical internal standard rather than for its pharmacological activity. Quetiapine hemifumarate is a 5-HT receptors agonist and a dopamine receptor antagonist. The compound is used in LC-MS/MS methods for the quantification of Quetiapine in biological matrices.
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| ln Vivo |
Quetiapine D4 hemifumarate is used in pharmacokinetic studies as an internal standard for the quantification of Quetiapine. Quetiapine hemifumarate is a 5-HT receptors agonist and dopamine receptor antagonist with antidepressant and anxiolytic effects. The deuterium-labeled compound can be co-administered with unlabeled Quetiapine to study ADME.
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| Enzyme Assay |
In vitro assays for Quetiapine D4 hemifumarate are typically performed as part of analytical method validation. The compound is used as an internal standard in LC-MS/MS assays for the quantification of Quetiapine. It is dissolved in an appropriate solvent and spiked into biological matrices at known concentrations. Calibration curves are generated by plotting the peak area ratio of Quetiapine to Quetiapine D4 hemifumarate against the concentration of Quetiapine.
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| Cell Assay |
For in vitro cell-based assays, Quetiapine D4 hemifumarate can be used in studies investigating Quetiapine's cellular effects, though its primary use is as an analytical internal standard. Cells expressing 5-HT or dopamine receptors are cultured and treated with the compound. Receptor modulation is confirmed by measuring downstream signaling pathways.
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| Animal Protocol |
In vivo animal studies with Quetiapine D4 hemifumarate are primarily pharmacokinetic. The compound is administered orally to rodents, and blood samples are collected at predetermined time points. Plasma concentrations of both labeled and unlabeled Quetiapine are analyzed by LC-MS/MS using Quetiapine D4 hemifumarate as the internal standard.
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| ADME/Pharmacokinetics |
Quetiapine D4 hemifumarate (CAS: 1217310-65-0) has a molecular weight of 445.57 g/mol and a molecular formula of C21H21D4N3O2S·1/2C4H4O4. Appearance: solid powder. Purity: ≥98%. Storage: -20°C. The compound is a deuterium-labeled internal standard for Quetiapine.
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| Toxicity/Toxicokinetics |
Quetiapine D4 hemifumarate is used in very small quantities as an analytical internal standard and does not pose significant toxicity risks under normal handling. As a deuterium-labeled analog of an approved antipsychotic, it is expected to have a similar pharmacological profile, but toxicology studies are typically not performed on the labeled compound. Quetiapine is generally well-tolerated.
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| References | |
| Additional Infomation |
Quetiapine D4 hemifumarate is a stable isotope-labeled analog of the atypical antipsychotic Quetiapine. It has the CAS number 1217310-65-0 and a molecular weight of 445.57 g/mol. It is used as an internal standard for analytical and pharmacokinetic studies. It is not intended for therapeutic use and is for research and analytical use only.
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| Molecular Formula |
C21H21*4N3O2S.C4H4O4
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|---|---|
| Molecular Weight |
495.5475
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| Exact Mass |
503.203
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| CAS # |
1217310-65-0
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| Related CAS # |
Quetiapine hemifumarate;111974-72-2;Quetiapine hemifumarate (Standard);111974-72-2;Quetiapine-d4 fumarate;1287376-15-1;Quetiapine-d8 fumarate;1185247-12-4;Quetiapine-d8 hemifumarate;Quetiapine hemifumarate-d8;1435938-24-1
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| PubChem CID |
154731288
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| Appearance |
White to off-white solid powder
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| LogP |
1.879
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
18
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
70
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| Complexity |
615
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C(O)(C(OCCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C24)([2H])[2H])[2H].[2H]C(O)(C(OCCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C24)([2H])[2H])[2H].C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
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| InChi Key |
SGKKPPGSCBIFAM-PSAPTRNMSA-N
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| InChi Code |
InChI=1S/2C21H25N3O2S.2C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;2*5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;2*1-2H,(H,5,6)(H,7,8)/b;;2*2-1+/i2*14D2,16D2;;
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| Chemical Name |
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]-1,1,2,2-tetradeuterioethanol;(E)-but-2-enedioic acid
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 | 2.0180 mL | 10.0898 mL | 20.1796 mL | |
| 5 mM | 0.4036 mL | 2.0180 mL | 4.0359 mL | |
| 10 mM | 0.2018 mL | 1.0090 mL | 2.0180 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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