Quetiapine Fumarate (ICI 204636))

Alias: ICI-204636; ICI 204,636; ICI 204636; ICI204636; Quetiapine Fumarate; Quetiapine hemifumarate; Seroquel XR; IC-204,636; ICI204,636; ICI-204636

Cat No.:V1282 Purity: ≥98%

COA Product Data Instructions for use SDS

Quetiapine Fumarate (Seroquel XR; IC-204,636; ICI204,636; ICI-204636), the fumarate salt of Quetiapine, is an atypical antipsychotic drug used for the treatment of schizophrenia, bipolar I mania, bipolar II depression, bipolar I depression.

Quetiapine Fumarate (ICI 204636)) Chemical Structure CAS No.: 111974-72-2
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
1g
2g
5g
10g
25g
50g
Other Sizes

ADD TO CART CHECKOUT BULK INQUIRY

1-708-310-1919 sales@invivochem.com

Other Forms of Quetiapine Fumarate (ICI 204636)):

Official Supplier of:

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

NMR

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Clinical Trial Information

Product Description

Biological Activity I Assay Protocols (From Reference)

Targets

Dopamine receptor; Histamine receptor; Adrenergic Receptor

ln Vitro

In vitro activity: Quetiapine exhibits binding characteristics at the dopamine-2 receptor that are similar to those of clozapine and shows affinity for a variety of neurotransmitter receptors, including adrenergic, histamine, serotonin, and dopamine receptors.[1]

ln Vivo

Quetiapine possesses a preclinical profile that points to antipsychotic action, along with a prolonged rise in prolactin and a decreased propensity to induce extrapyramidal symptoms (EPS). In the limbic but not the motor brain regions, guetiapine modifies the expression of c-fos and neurotensin neurotransmission. In several behavioral and biochemical tests, quetiapine also exhibits clozapine-like activity and may have neuroprotective qualities.[1] Chronic restraint stress (CRS) in rats causes hippocampal cell proliferation and BDNF expression, which quetiapine dose-dependently prevents from leading to schizophrenia and depression. In stressed rats, a combination of gentapine (5 mg/kg) and Venlafaxine (2.5 mg/kg) prevents the decrease of BDNF and increases the proliferation of hippocampal cells, while individual drugs have negligible or no effects.[2] Guetiapine selectively affects the brain's limbic and cortical regions, especially the dopaminergic neurotransmission in these areas. Putamenal DA D2r occupancy is induced by gentiapine at lower levels than those observed in typical APDs. Quetiapine does not spare occupancy of the substantia nigra DA D2r, but it does produce preferential occupancy of temporal cortical DA D2r, 46.9%. In rats exposed to chronic stress through restraint, guetiapine reduces the decline in brain-derived neurotrophic factor (BDNF) in the hippocampus. Guetiapine (10 mg/kg) reverses the suppression of hippocampus neurogenesis caused by stress, as shown by an increase in pCREB-positive and BrdU-labeled cells compared to non-stressed rats, but not as much as those treated with a vehicle.[3]

Animal Protocol

5, 10 mg/kg

Rats

References

[1]. J Clin Psychiatry . 2002:63 Suppl 13:5-11.

[2]. Hippocampus . 2006;16(6):551-9.

[3]. Brain Res . 2005 Nov 23;1063(1):32-9.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula

C46H54N6O8S2

Molecular Weight

883.09

Exact Mass

882.34

CAS #

111974-72-2

Related CAS #

Quetiapine; 111974-69-7; Quetiapine-d4 hemifumarate; 1217310-65-0; Quetiapine sulfoxide dihydrochloride; 329218-11-3; 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; Quetiapine sulfoxide; 329216-63-9

SMILES

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O

InChi Key

ZTHJULTYCAQOIJ-WXXKFALUSA-N

InChi Code

InChI=1S/2C21H25N3O2S.C4H4O4/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;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+

Chemical Name

2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid

Synonyms

ICI-204636; ICI 204,636; ICI 204636; ICI204636; Quetiapine Fumarate; Quetiapine hemifumarate; Seroquel XR; IC-204,636; ICI204,636; ICI-204636

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: ~36 mg/mL (~40.8 mM)

Water: <1 mg/mL

Ethanol: <1 mg/mL

Solubility (In Vivo)

0.5% CMC Na: 30mg/mL

(Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.1324 mL	5.6619 mL	11.3239 mL
	5 mM	0.2265 mL	1.1324 mL	2.2648 mL
	10 mM	0.1132 mL	0.5662 mL	1.1324 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

Mass

Concentration

Volume

Molecular Weight*

Calculate Reset

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

See Example

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.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

Calculate Reset

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

Molecular formula

Total molecular weight

g/mol

Calculate Reset

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.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Calculate Reset

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)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

Number of animals

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.)

% DMSO

% Tween 80

% ddH₂O

Calculate Reset

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.

Note： (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