1185247-12-4

1185247-12-4 structure

Name: Quetiapine-d8 (fumarate)
Chemical Name: 2-[2-[4-(6a,10a-dihydrobenzo[b][1,4]benzothiazepin-6-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethoxy]ethanol,(E)-but-2-enedioic acid
CAS Number: 1185247-12-4
Molecular Formula: C₂₅H₂₃D₈N₃O₆S
Molecular Weight: 509.64400
Catalog: Signaling Pathways GPCR/G Protein 5-HT Receptor
Create Date: 2016-07-26 01:12:09
Modify Date: 2024-01-18 15:59:44
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].

Name	2-[2-[4-(6a,10a-dihydrobenzo[b][1,4]benzothiazepin-6-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethoxy]ethanol,(E)-but-2-enedioic acid

Description	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].
Related Catalog	Signaling Pathways >> GPCR/G Protein >> Dopamine Receptor Signaling Pathways >> Neuronal Signaling >> Dopamine Receptor Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [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. [3]. Hanzhi Wang, et al. 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.

Molecular Formula	C₂₅H₂₃D₈N₃O₆S
Molecular Weight	509.64400
Exact Mass	509.24400
PSA	148.20000
LogP	1.58280

Symbol	GHS02, GHS06, GHS08
Signal Word	Danger
Hazard Statements	H225-H301 + H311 + H331-H370
Precautionary Statements	P210-P260-P280-P301 + P310-P311
RIDADR	UN1230 - class 3 - PG 2 - Methanol, solution
Flash Point(F)	48.2 °F
Flash Point(C)	9 °C

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