1185247-12-4

1185247-12-4 structure
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
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
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