Quetiapine hemifumarate

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Cat.No. 4735 - Quetiapine hemifumarate | C21H25N3O2S.0.5C4H4O4 | CAS No. 111974-72-2
Description: 5-HT2/D2 antagonist; atypical antipsychotic
Alternative Names: ICI 204,636
Chemical Name: 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol hemifumarate
Purity: ≥99% (HPLC)
Datasheet
Citations
Reviews
Literature

Biological Activity

Atypical antipsychotic. Displays antagonist activity at serotonin (5-HT2) and dopamine (D2) receptors (IC50 values are 148 and 329 nM respectively). Lacks affinity at either D1 or muscarinic receptors.

Compound Libraries

Quetiapine hemifumarate is also offered as part of the Tocriscreen Plus and Tocriscreen Library of FDA-Approved Compounds. Find out more about compound libraries available from Tocris.

Technical Data

M. Wt 441.54
Formula C21H25N3O2S.0.5C4H4O4
Storage Store at +4°C
Purity ≥99% (HPLC)
CAS Number 111974-72-2
PubChem ID 5281025
InChI Key ZTHJULTYCAQOIJ-WXXKFALUSA-N
Smiles OCCOCCN(CC4)CCN4C2=NC1=CC=CC=C1SC3=C2C=CC=C3.O=C(/C=C/C(O)=O)O.OCCOCCN(CC8)CCN8C6=NC5=CC=CC=C5SC7=C6C=CC=C7

The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.

Tocris products are intended for laboratory research use only, unless stated otherwise.

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 22.08 50

Preparing Stock Solutions

The following data is based on the product molecular weight 441.54. Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
0.5 mM 4.53 mL 22.65 mL 45.3 mL
2.5 mM 0.91 mL 4.53 mL 9.06 mL
5 mM 0.45 mL 2.26 mL 4.53 mL
25 mM 0.09 mL 0.45 mL 0.91 mL

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References

References are publications that support the biological activity of the product.

Saller and Salama (1993) Seroquel: biochemical profile of a potential atypical antipsychotic. Psychopharmacology (Berl.) 112 285 PMID: 7871032

Ellenbroek et al (1996) Activity of "seroquel" (ICI 204,636) in animal models for atypical properties of antipsychotics: a comparison with cloz. Neuropsychopharmacology 15 406 PMID: 8887995


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Citations for Quetiapine hemifumarate

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Literature in this Area

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5-HT Receptors

5-HT Receptors Scientific Review

Written by Nicholas M. Barnes and John F. Neumaier, this review summarizes the various serotonin receptor subtypes and their importance in mediating the role of serotonin in numerous physiological and pharmacological processes. Compounds available from Tocris are listed.