Brexpiprazole S-oxide

Modify Date: 2024-01-02 12:46:44

Brexpiprazole S-oxide Structure
Brexpiprazole S-oxide structure
Common Name Brexpiprazole S-oxide
CAS Number 1191900-51-2 Molecular Weight 449.565
Density 1.4±0.1 g/cm3 Boiling Point N/A
Molecular Formula C25H27N3O3S Melting Point N/A
MSDS N/A Flash Point N/A

 Use of Brexpiprazole S-oxide


Brexpiprazole S-oxide (DM-3411) is a main metabolite of Brexpiprazole and is metabolized by cytochrome P450 3A4 (CYP3A4). Brexpiprazole is an atypical antipsychotic agent and a partial agonist of human 5-HT1A and dopamine receptor with Kis of 0.12 nM and 0.3 nM, respectively. Brexpiprazole is also a 5-HT2A receptor antagonist with a Ki of 0.47 nM[1][2][3].

 Names

Name DM-3411
Synonym More Synonyms

 Brexpiprazole S-oxide Biological Activity

Description Brexpiprazole S-oxide (DM-3411) is a main metabolite of Brexpiprazole and is metabolized by cytochrome P450 3A4 (CYP3A4). Brexpiprazole is an atypical antipsychotic agent and a partial agonist of human 5-HT1A and dopamine receptor with Kis of 0.12 nM and 0.3 nM, respectively. Brexpiprazole is also a 5-HT2A receptor antagonist with a Ki of 0.47 nM[1][2][3].
Related Catalog
Target

Ki: 0.12 nM (5-HT1A), 0.3 nM (D2L), 0.47 nM (5-HT2A)[2]

References

[1]. Chen B, et al. Effects of 26 Recombinant CYP3A4 Variants on Brexpiprazole Metabolism. Chem Res Toxicol. 2019 Oct 17.

[2]. Ishima T, et al. Potentiation of neurite outgrowth by brexpiprazole, a novel serotonin-dopamine activity modulator: a role for serotonin 5-HT1A and 5-HT2A receptors. Eur Neuropsychopharmacol. 2015 Apr;25(4):505-11.

[3]. Yoshimi N, et al. Improvement of dizocilpine-induced social recognition deficits in mice by brexpiprazole, a novel serotonin-dopamine activity modulator. Eur Neuropsychopharmacol. 2015 Mar;25(3):356-64.

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Molecular Formula C25H27N3O3S
Molecular Weight 449.565
Exact Mass 449.177307
Index of Refraction 1.693

 Synonyms

Benzo[b]thiophenium, 4-[4-[4-[(1,2-dihydro-2-oxo-7-quinolinyl)oxy]butyl]-1-piperazinyl]-1-hydroxy-, inner salt
N22UPQ09R0
4-(4-{4-[(2-Oxo-1,2-dihydro-7-quinolinyl)oxy]butyl}-1-piperazinyl)-1-benzothiophenium-1-olate
DM-3411
UNII:N22UPQ09R0
Brexpiprazole Sulfoxide
Brexpiprazole S-Oxide
Brexpiprazole Impurity 20