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Calculated reference model · not an experimental or batch-certified structure. All 30 atoms shown.

Model data & sources
  • The CAS lookup also returns a PubChem record with ring-junction stereochemistry unspecified; the stereo-defined Seltorexant record matching the catalog (3aS,6aR) name is shown.
  • Heavy atoms only; hydrogens are omitted from the reference display.
  • Source-defined stereochemistry is checked against the calculated coordinates; no energy-minimum, crystal or solution-structure claim is made.
  • Reference molecular species only; batch identity, purity, counterions and excipients are not certified.
Formula
C21H22FN7O
Method
RDKit ETKDGv3 / MMFF94s calculated reference conformer
In stock nowBrowse more certificates
Batch 1 of 2
KC-SLX-01
Batch 2 of 2
KC-SLX-02
The forms on this page come off different batches, so more than one code is shipping. Each has its own certificate, and the code printed on your label is the one you have.

Seltorexant

Nootropics

Published formats

  • Liquid Dropper 30mL/10mg Per mL/300mg
  • Powder 1g
  • Dry-Fill Capsule 60ct/5mg/300mg
What is the difference between these?
Liquid Dropper
The compound already in solution, in a dropper bottle. The label gives the amount per millilitre, the bottle volume and the total.
Powder
Raw material as a solid. Nothing added and nothing portioned; the stated weight is what is in the container.
Dry-Fill Capsule
Capsules filled with the weighed solid. The label gives the amount in each capsule and the number in the bottle.
Each label gives the amount per unit and the total, so compare the totals rather than the container size.

Supplementary product details from the published catalog, checked 2026-10-07. These reference details do not establish current availability.

Pricing

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Technical Specifications

Batch COA Database ↗
CAS Registry Number1293281-49-8
Molecular FormulaC21H22FN7O
Molecular Weight407.4
IUPAC Designation[(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
Physical FormWhite to yellow solid powder
Storage RequirementsRefer to product documentation
Solution VehiclePEG400, DMSO
Other NamesSeltorexant, 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-
Capsule Concentration5mg x 60ct
Liquid Concentration and Solution10mg/ml PEG400, DMSO
Bulk Powder Quantity1g

Identity fields from the published product record, checked 2026-10-07. Reference information is not a batch identity certificate.

Research Overview

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.

Physical & Handling Properties

Property Specification
Physical Appearance White to yellow solid powder
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 Ki 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

Store at controlled room temperature. Keep tightly closed. Liquid formats: do not refrigerate or freeze. Cold storage may cause the solution to cloud or precipitate. If this occurs, return to room temperature and mix until clear.

Storage guidance is a house recommendation. Analytical documentation is per-lot release testing.

Related Research Compounds

Research Use Disclaimer

Research Use Only Disclaimer: This product is labeled and sold "For Research Use Only — NOT FOR HUMAN CONSUMPTION." It is not a drug, dietary supplement, food, cosmetic, or medical device, and it is not approved by the FDA or any other regulator for human or veterinary use. It is supplied to approved account holders as a research chemical for laboratory use and must be handled in accordance with applicable law.

Certificates of Analysis

Currently shipping from batches KC-SLX-01 and KC-SLX-02. The code printed on your label says which one you have.

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Research use only. Not for human or veterinary use.