CAS 1191900-51-2|Brexpiprazole S-oxide
Introduction：Basic information about CAS 1191900-51-2|Brexpiprazole S-oxide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Brexpiprazole S-oxide | ||
|---|---|---|---|
| CAS Number | 1191900-51-2 | Molecular Weight | 449.565 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | / |
| Molecular Formula | C25H27N3O3S | Melting Point | / |
| MSDS | / | Flash Point | / |
Names
| Name | DM-3411 |
|---|---|
| Synonym | More Synonyms |
Brexpiprazole S-oxide BiologicalActivity
| 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 | Signaling Pathways >>GPCR/G Protein >>Dopamine ReceptorSignaling Pathways >>Neuronal Signaling >>Dopamine ReceptorResearch Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>5-HT ReceptorSignaling Pathways >>Neuronal Signaling >>5-HT Receptor |
| 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 |
