1191900-51-2
1191900-51-2
Chemical Structure
Brexpiprazole S-oxide
Synonym(s): DM-3411
- CAS No.: 1191900-51-2
- Formula:C25H27N3O3S
- Molecular Weight:449.57
IUPAC Name: 7-(4-(4-(1-oxidobenzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one
InChIKey: VJYXYAVCCLPIPM-UHFFFAOYSA-N
SMILES: O=C1NC2=C(C=CC(OCCCCN3CCN(C4=C(C=CS5=O)C5=CC=C4)CC3)=C2)C=C1
Biological Activity: Brexpiprazole S-oxide (DM-3411) is a metabolite of Brexpiprazole (HY-15780). Brexpiprazole S-oxide is a dopamine D2 receptor ligand that binds to the human dopamine D2L receptor with a Ki of 5.01 nM. Brexpiprazole S-oxide can be used for research on schizophrenia[1][2][3][4][5][6].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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Brexpiprazole S-oxide | 96.51% | Brexpiprazole S-oxide (DM-3411) is a metabolite of Brexpiprazole (HY-15780). Brexpiprazole S-oxide is a dopamine D2 receptor ligand that binds to the human dopamine D2L receptor with a Ki of 5.01 nM. Brexpiprazole S-oxide can be used for research on schizophrenia. | ||||||||||||||||||||
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Brexpiprazole S-oxide-d8 | 98.57% | Brexpiprazole S-oxide-d8 (DM-3411 D8) is the deuterated-labeled Brexpiprazole S-oxide (HY-133152). Brexpiprazole S-oxide (DM-3411) is a metabolite of Brexpiprazole (HY-15780). Brexpiprazole S-oxide is a dopamine D2 receptor ligand that binds to the human dopamine D2L receptor with a Ki of 5.01 nM. Brexpiprazole S-oxide can be used for research on schizophrenia. | ||||||||||||||||||||
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References
- [1]. Kaczor AA, et al. Comparative molecular field analysis and molecular dynamics studies of the dopamine D receptor antagonists without a protonatable nitrogen atom. Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents. 2018;27(4):1149-1166.
- [2]. Sasabe H, et al. Pharmacokinetics and metabolism of brexpiprazole, a novel serotonin-dopamine activity modulator and its main metabolite in rat, monkey and human. Xenobiotica; the fate of foreign compounds in biological systems. 2021 May;51(5):590-604.
- [3]. Thakkar D, et al. 1-(Benzo[b]thiophen-4-yl)piperazine Ring Induced Bioactivation of Brexpiprazole in Liver Microsomes: Identification and Characterization of Reactive Conjugates Using Ultra-High-Performance Liquid Chromatography/Quadrupole Time-of-Flight Mass Spectrometry. Eur J Drug Metab Pharmacokinet. 2020 Jun;45(3):393-403.
- [4]. Thakkar D, et al. In silico, in vitro and in vivo metabolite identification of brexpiprazole using ultra-high-performance liquid chromatography/quadrupole time-of-flight mass spectrometry. Rapid communications in mass spectrometry : RCM. 2019 May 15;33(11):1024-1035.
- [5]. Ishigooka J, et al. Pharmacokinetics and Safety of Brexpiprazole Following Multiple-Dose Administration to Japanese Patients With Schizophrenia. Journal of clinical pharmacology. 2018 Jan;58(1):74-80.
- [6]. Aftab A, et al. The preclinical discovery and development of brexpiprazole for the treatment of major depressive disorder. Expert opinion on drug discovery. 2017 Oct;12(10):1067-1081.
