2748605-29-8
Chemical Structure
Brexpiprazole S-oxide-d8
Synonym(s): DM-3411 d8
- CAS No.: 2748605-29-8
- Formula:C25H19D8N3O3S
- Molecular Weight:457.61
IUPAC Name: 7-(4-(4-(1-oxidobenzo[b]thiophen-4-yl)piperazin-1-yl-2,2,3,3,5,5,6,6-d8)butoxy)quinolin-2(1H)-one
InChIKey: VJYXYAVCCLPIPM-DHNBGMNGSA-N
SMILES: O=S1C=CC2=C(N3C([2H])([2H])C([2H])([2H])N(CCCCOC4=CC=C(C=CC(N5)=O)C5=C4)C([2H])([2H])C3([2H])[2H])C=CC=C21
Biological Activity: Brexpiprazole S-oxide-d8 (DM-3411 D8) is a deuterium labeled Brexpiprazole S-oxide (HY-133152). Brexpiprazole S-oxide 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].
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Brexpiprazole S-oxide-d8 | 98.72% | Brexpiprazole S-oxide-d8 (DM-3411 D8) is a deuterium labeled Brexpiprazole S-oxide (HY-133152). Brexpiprazole S-oxide 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. | ||||||||||||||||||||
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Brexpiprazole S-oxide | 96.51% | 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. | ||||||||||||||||||||
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- [1]. Chen B, et al. Effects of 26 Recombinant CYP3A4 Variants on Brexpiprazole Metabolism. Chem Res Toxicol. 2019 Oct 17. [Content Brief]
- [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. [Content Brief]
- [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. [Content Brief]
