| Field | Specification |
|---|---|
| Target | |
| Alternative names | DM-3411 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C25H27N3O3S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Brexpiprazole S-oxide, also known as DM-3411, is a main metabolite of Brexpiprazole and is metabolized by cytochrome P450 3A4 (CYP3A4). Brexpiprazole itself is an atypical antipsychotic agent and a partial agonist at human 5-HT1A and dopamine receptors, with Ki values of 0.12 nM and 0.3 nM, respectively, and it also acts as a 5-HT2A receptor antagonist with a Ki of 0.47 nM[1][2][3]. It is supplied as an off-white to light yellow solid (C25H27N3O3S, MW 449.57) at 96.51% purity.
Physical & Chemical Properties
| CAS Number | 1191900-51-2 |
|---|---|
| Molecular Formula | C25H27N3O3S |
| Molecular Weight | 449.57 g/mol |
| Purity | 96.51% |
| Appearance | Solid |
| Color | Off-white to light yellow |
| SMILES | O=C1NC2=C(C=CC(OCCCCN3CCN(C4=C(C=CS5=O)C5=CC=C4)CC3)=C2)C=C1 |
| Target | 5-HT 1A Receptor, 5-HT 2A Receptor, D 2 Receptor |
| Signaling Pathway | GPCR/G Protein; Neuronal Signaling |
| Solubility | In Vitro: DMSO: 25 mg/mL (55.61 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[2]
|
5-HT1A Receptor 0.12 nM (Ki) |
5-HT1A Receptor |
5-HT2A Receptor |
5-HT2A Receptor 0.47 nM (Ki) |
D2 Receptor 0.3 nM (Ki) |
Literature Cited
Sources cited in this description. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 25 mg/mL (55.61 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
Data provided by the manufacturer.
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