Seltorexant

CAS: 1293281-49-8
Molecular wt: 407.4
Compound class: Octahydropyrrolo[3,4-b]pyrrole amide

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Seltorexant

Seltorexant is sold for laboratory research use only. Terms of sale apply. Not for human consumption, nor medical, veterinary, or household uses. Please familiarize yourself with our Terms and Conditions prior to ordering.

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Description

Seltorexant (JNJ-42847922) Research Standard

Seltorexant (JNJ-42847922, MIN-202) is a potent, orally active, and highly selective Orexin-2 Receptor (OX2R) antagonist. By selectively modulating the orexin signaling pathway, which is integral to arousal and the regulation of the sleep–wake cycle, Seltorexant has emerged as a significant reference compound in neurobiological and pharmacological research. In laboratory and analytical settings, it is utilized to probe the kinetics of the Orexin-2 receptor, map receptor-ligand binding interactions, and investigate the physiological implications of OX2R antagonism in experimental models.Technical Specifications

Property	Specification
Product Name	Seltorexant (JNJ-42847922)
CAS Number	1293281-49-8
Chemical Formula	C₂₁H₂₂FN₇O
Molecular Weight	407.45 g/mol
Chemical Class	Selective Orexin-2 Receptor (OX2R) Antagonist
Physical Appearance	White to yellow solid powder
Assay Purity	Refer to the batch-specific Certificate of Analysis (COA) supplied for the lot received
Solution Base	PEG400/DMSO

Mechanism of Action & Research Context

Seltorexant is engineered for high-affinity binding to the Orexin-2 receptor. Its structural features—including the specific fluorine atom positioning and the triazole ring system—are critical for its pharmacological profile.

OX2R Selectivity: The compound exhibits high selectivity for the Orexin-2 receptor over the Orexin-1 receptor (OX1R). Researchers use this selectivity to isolate the effects of OX2R antagonism in cell-based assays and radioligand competition studies.
Binding Pocket Interaction: The molecule’s three-dimensional shape enables a precise fit within the OX2R binding pocket. This makes it an ideal probe for studying receptor-ligand kinetics and displacement dynamics using labeled tracers.
Signaling Modulation: By acting as an antagonist, Seltorexant inhibits the downstream signaling pathways associated with orexin-induced arousal, providing a mechanism to study the reduction of wake-promoting neurochemical activity in controlled in vitro models.

Research Applications

Seltorexant is a specialized reagent essential for modern neuropharmacology and receptor research.

Primary fields of in vitro and analytical laboratory investigation include:

Binding Affinity Assays: Measuring K_i values and binding kinetics to establish potency and selectivity profiles against OX2R versus OX1R.
Competition Binding Studies: Utilizing radioligand displacement assays to map the binding footprint within the Orexin-2 receptor.
Protein Binding Analysis: Evaluating the free fraction of the compound in plasma solutions to support pharmacokinetic modeling.
Receptor Mapping: Employing the compound as a structural probe to examine how specific ligand modifications influence receptor affinity.

Storage & Handling Guidelines

To maintain the chemical stability and experimental reliability of the compound:

Storage Environment: Store in a cool, dry place. Keep containers tightly closed when not in active use.
Environmental Control: Protect strictly from light; store in dark or opaque vials to prevent photodegradation.
Moisture Management: The compound should be kept away from humidity to ensure the integrity of the powder or solution.
Aseptic Technique: Use sterile, non-reactive laboratory tools to handle samples. Maintain a clean, dedicated workspace to prevent cross-contamination, particularly when preparing sensitive assay solutions.

Related Research Compounds

Research Use Disclaimer

Research Use Only Disclaimer: This product is developed and distributed strictly as a Research Use Only (RUO) laboratory reference chemical intended exclusively for non-clinical analytical and scientific investigation. It is not an FDA-approved drug, medical treatment, dietary supplement, or food ingredient, and is strictly prohibited for human or animal consumption. Kimera Chems supplies this research material solely to qualified institutions and professional investigators for authorized laboratory research.

Compound Class	Octahydropyrrolo[3,4-b]pyrrole amide
CAS Number	1293281-49-8
Other Names	Seltorexant, AIS8N3O50B, Seltorexantum, 2-(4,6-Dimethylpyrimidin-2-yl)-5-((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)carbonyl)octahydropyrrolo(3,4-C)pyrrole Methanone, ((3aR,6aS)-5-(4,6-dimethyl-2-pyrimidinyl)hexahydropyrrolo(3,4-C)pyrrol-2(1H)-yl)(2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)-, rel-
IUPAC Name	[(3aS,6aR)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
Molecular Formula	C21H22FN7O
Molecular Weight	407.4
Capsule Concentration	5mg x 60ct
Liquid Concentration And Solution	10mg/ml PEG400/DMSO
Bulk Powder Quantity	1g

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Research Use Only
All products supplied by Kimera Chems LLC are intended strictly for laboratory research use. They are not drugs, dietary supplements, food, cosmetics, or veterinary products, and are not for human or animal consumption.

Regulatory Status
Kimera Chems LLC is a chemical supplier. Kimera Chems is not a compounding pharmacy or chemical compounding facility as defined under Section 503A of the Federal Food, Drug, and Cosmetic Act, and is not an outsourcing facility as defined under Section 503B of that Act.

Intended Use and Handling
The products we offer are not intended for human use. They are intended for in-vitro and pre-clinical research purposes only. The customer acknowledges that risks exist in the handling, use, and distribution of these products, and certifies that it has the proper equipment, facilities, and personnel to manage those risks, and knowingly accepts them. These chemicals are not intended to be used, and should not be used, in inappropriate applications — including, without limitation, as food additives, drugs, cosmetics, or household chemicals, or in any application outside of in-vitro laboratory research, pre-clinical research, or laboratory chemical synthesis and materials testing.

Customer Responsibility
By purchasing these products, the customer agrees to the above. In the event the customer uses, or causes others to use, these products outside of these restrictions, the customer accepts all risk of doing so, absolves Kimera Chems of any responsibility for such actions, and agrees to indemnify and hold Kimera Chems harmless against any third-party claims arising from them.