1185247-12-4
Chemical Structure
Quetiapine-d8 fumarate
- CAS No.: 1185247-12-4
- Formula:C25H21D8N3O6S
- Molecular Weight:507.63
IUPAC Name: 2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl-2,2,3,3,5,5,6,6-d8)ethoxy)ethan-1-ol fumarate
InChIKey: VRHJBWUIWQOFLF-SMODUGIXSA-N
SMILES: OC(/C=C/C(O)=O)=O.OCCOCCN1C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C1([2H])[2H])C2=NC3=CC=CC=C3SC4=CC=CC=C24
Biological Activity: Quetiapine-d8 (fumarate) is the deuterium labeled Quetiapine. Quetiapine is a 5-HT receptors agonist with a pEC50 of 4.77 for human 5-HT1A receptor. Quetiapine is a dopamine receptor antagonist with a pIC50 of 6.33 for human D2 receptor. Quetiapine has moderate to high affinity for the human D2, HT1A, 5-HT2A, 5-HT2C receptor with pKis of 7.25, 5.74, 7.54, 5.55. Antidepressant and anxiolytic effects[1][2].
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Quetiapine-d8 fumarate | Quetiapine-d8 (fumarate) is the deuterium labeled Quetiapine. Quetiapine is a 5-HT receptors agonist with a pEC50 of 4.77 for human 5-HT1A receptor. Quetiapine is a dopamine receptor antagonist with a pIC50 of 6.33 for human D2 receptor. Quetiapine has moderate to high affinity for the human D2, HT1A, 5-HT2A, 5-HT2C receptor with pKis of 7.25, 5.74, 7.54, 5.55. Antidepressant and anxiolytic effects. | |||||||||||||||||||||
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References
- [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [Content Brief]
- [2]. Cross AJ, et al. 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. [Content Brief]
