Quetiapine

Alias: ICI 204636; ICI-204636; ICI 204,636; ICI204636; Quetiapine; quetiapine fumarate; brand name: Seroquel
Cat No.:V9837 Purity: ≥98%
Quetiapine Fumarate (also known as ICI-204636; trade name Seroquel) is a dibenzothiazepine-based atypical antipsychotic agent acting as a 5-HT receptors agonist with a pEC50 of 4.77 for human 5-HT1A receptor.
Quetiapine Chemical Structure CAS No.: 111974-69-7
Product category: 5-HT Receptor
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
100mg
250mg
500mg
1g
2g
5g
Other Sizes

Other Forms of Quetiapine:

  • Quetiapine Fumarate (ICI 204636))
  • Quetiapine sulfoxide dihydrochloride
  • Quetiapine D4 fumarate
  • Quetiapine sulfoxide
  • Vemurafenib-Analog
Official Supplier of:
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

Quetiapine Fumarate (also known as ICI-204636; trade name Seroquel) is a dibenzothiazepine-based atypical antipsychotic agent acting as a 5-HT receptors agonist with a pEC50 of 4.77 for human 5-HT1A receptor. It has been authorized for use in the management of bipolar I and II depression, schizophrenia, and bipolar I mania. It is possible that antagonist activity at serotonin and dopamine receptors mediates quetiapine's antipsychotic effect. Particularly, quetiapine inhibited the alpha 1 and alpha 2 adrenoreceptors, the 5-HT1A and 5-HT2 serotonin receptor subtypes, and the D1 and D2 dopamine receptors.

Biological Activity I Assay Protocols (From Reference)
Targets
5-HT1a Receptor ( pKi = 5.74 ); 5-HT2A Receptor ( pKi = 7.54 ); 5-HT2C Receptor ( pKi = 5.55 ); D2 Receptor ( pKi = 7.25 ); 5-HT1A Receptor ( pKi = 4.77 ); D2 Receptor ( pKi = 6.33 )
ln Vitro
Quetiapine (<100 μM; 24 hours) has no significant effect on cell viability [2]. Quetiapine (10 μM) inhibits NO release, while LPS (0.1-100 ng/mL) concentration modulates [2]. Cell viability assay [2] Cell line: N9 microglia Concentration: 0, 0.1, 1, 10, 50 and 100 μM Incubation time: 24 hours Results: No significant effect on cells. viability at various concentrations below 100 μM, where significant toxicity was observed. RT-PCR[2] Cell line: N9 microglia Concentration: 10 μM Incubation time: 24 hours Results: Significantly inhibited TNF-α synthesis.
ln Vivo
Quetiapine (10 mg/kg/day; approved) can attenuate the recruitment and activation of astrocytes and promote myelin repair in a cuprizone (CPZ)-induced chronic demyelination model [2]. Animal model: C57BL/ 6 mice [2] Dosage: 10 mg/kg/day Administration method: Ingestion Results: Compared with the Veh group, the optical density of myelin basic protein (MBP) staining increased significantly.
Cell Assay
Cell Line: N9 microglial cells
Concentration: 0, 0.1, 1, 10, 50, and 100 μM
Incubation Time: 24 hours
Result: Had no significant effect on cell viabilities at various concentrations under 100 μM, in which significant toxicity could be observed.
Animal Protocol
C57BL/6 mice
10 mg/kg/day
Ingested
References

[1]. Quetiapine and its metabolite norquetiapine: translation from in vitro pharmacology to in vivo efficacy in rodent models. Br J Pharmacol. 2016 Jan;173(1):155-66.

[2]. Quetiapine Inhibits Microglial Activation by Neutralizing Abnormal STIM1-Mediated Intercellular Calcium Homeostasis and Promotes Myelin Repair in a Cuprizone-Induced Mouse Model of Demyelination. Front Cell Neurosci. 2015 Dec 21;9:492.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C21H25N3O2S
Molecular Weight
383.51
Exact Mass
383.17
Elemental Analysis
C, 65.77; H, 6.57; N, 10.96; O, 8.34; S, 8.36
CAS #
111974-69-7
Related CAS #
Quetiapine hemifumarate; 111974-72-2; Quetiapine sulfoxide dihydrochloride;329218-11-3; Quetiapine-d4 fumarate; 1287376-15-1; Quetiapine sulfoxide; 329216-63-9; 918505-61-0 (analog)
Appearance
Oil
SMILES
C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
InChi Key
URKOMYMAXPYINW-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
Chemical Name
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
Synonyms
ICI 204636; ICI-204636; ICI 204,636; ICI204636; Quetiapine; quetiapine fumarate; brand name: Seroquel
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO: 77~100 mg/mL (200.8~260.8 mM)
Ethanol: ~100 mg/mL (~260.8 mM)
H2O: ~0.1 mg/mL (~0.3 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.52 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (6.52 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (6.52 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.6075 mL 13.0375 mL 26.0749 mL
5 mM 0.5215 mL 2.6075 mL 5.2150 mL
10 mM 0.2607 mL 1.3037 mL 2.6075 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.

Clinical Trial Information
NCT Number Recruitment interventions Conditions Sponsor/Collaborators Start Date Phases
NCT04521478 Active
Recruiting
Drug: BI 1358894
Drug: Placebo
Drug: Quetiapine
Depressive Disorder, Major Boehringer Ingelheim November 20, 2020 Phase 2
NCT05801289 Recruiting Drug: Quetiapine Delirium Ain Shams University December 4, 2022 Not Applicable
NCT05085808 Not yet recruiting Drug: Quetiapine
Drug: Placebo
Morality
Delirium
Psych
University of Southern California March 1, 2024 Phase 4
NCT05240261 Not yet recruiting Drug: Quetiapine Chronic Kidney Diseases Assiut University May 1, 2022 Phase 1
NCT05480150 Recruiting Drug: Quetiapine Fumarate Tablets
Drug: Lurasidone
Major Depressive Disorder
Bipolar Disorder, Mixed
First Affiliated Hospital of
Zhejiang University
November 1, 2021 Not Applicable
Biological Data
  • Occupancy of rat noradrenline transporter (NET) in locus coeruleus following s.c. administration of norquetiapine, desipramine or reboxetine. Br J Pharmacol . 2016 Jan;173(1):155-66.
  • Effects of norquetiapine, desipramine or reboxetine in the forced swim test in male BALB/c mice. Br J Pharmacol . 2016 Jan;173(1):155-66.
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