Seltorexant hydrochloride - ≥99% , CAS No.1293284-49-7

CAS: 1293284-49-7 Cat. No.: S650255 Molecular Weight: 443.91 PubChem CID: 118522230

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Seltorexant hydrochloride (JNJ-42847922 hydrochloride) is an orally active, high-affinity, and selective OX2R antagonist ( pK i values of 8.0 and 8.1 for human and rat OX2R). Seltorexant hydrochloride crosses the blood-brain barrier and quickly occupies OX2R binding sites in the rat brain

In Vivo

Seltorexant hydrochloride (JNJ-42847922 hydrochloride) (3-30 mg/kg; p.o.) dose-dependently induces and prolongs sleep in male Sprague-Dawley rats . The sleep-promoting effects of Seltorexant hydrochloride (30 mg/kg; p.o.; per day for 7 days) are maintained upon 7-day repeated dosing in rats . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Sprague-Dawley rats (350-450 g) Dosage: 30 mg/kg Administration: p.o.; per day for 7 days Result: The reduced sleep onset (non–rapid eye movement (NREM) latency) and the increased NREM sleep duration were maintained upon 7-day repeated dosing with JNJ-42847922. The prolongation of NREM sleep time was due to a significant increase in NREM bout duration throughout the treatment period assessed on D1 and D7. Rapid eye movement (REM) sleep was only marginally affected on D4 of treatment, resulting in a small but significant reduction in REM sleep latency and an increase in REM sleep duration.

Form:Solid

IC50& Target:human OX2R 8.0 (pKi) rat OX2R 8.1 (pKi)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Seltorexant hydrochloride (JNJ-42847922 hydrochloride) is an orally active, high-affinity, and selective OX2R antagonist ( pK i values of 8.0 and 8.1 for human and rat OX2R). Seltorexant hydrochloride crosses the blood-brain barrier and quickly occupies O

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC(=NC(=N1)N2CC3CN(CC3C2)C(=O)C4=C(C=CC=C4F)N5N=CC=N5)C.Cl
• IUPAC Name: [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;hydrochloride
• InChIKey: LILZQJZQERNISU-UHFFFAOYSA-N
• INCHI: 1S/C21H22FN7O.ClH/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29;/h3-8,15-16H,9-12H2,1-2H3;1H
• Isomeric SMILES: CC1=CC(=NC(=N1)N2CC3CN(CC3C2)C(=O)C4=C(C=CC=C4F)N5N=CC=N5)C.Cl
• PubChem CID: 118522230
• Molecular Weight: 443.91

Chemical and Physical Properties

• Solubility: H2O : 100 mg/mL (225.27 mM; Need ultrasonic) DMSO : 83.33 mg/mL (187.72 mM; Need ultrasonic)