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Almorexant HCl OX Receptor antagonist

Name: Almorexant HCl
Brand: Selleck Chemicals
SKU: S2160
Rating: 5 (6 reviews)

Cat.No.S2160

Almorexant HCl (ACT-078573) is an orally active, dual orexin receptor antagonist with IC50 of 6.6 nM and 3.4 nM for OX1 and OX2 receptor, respectively. Phase 3.

Chemical Structure

Molecular Weight: 549.02

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Quality Control

Batch: Purity: 99.99%

99.99

Related Targets	CXCR Hedgehog/Smoothened PKA Adrenergic Receptor AChR 5-HT Receptor Histamine Receptor Dopamine Receptor Ras KRas
Other OX Receptor Inhibitors	Oveporexton (TAK-861) SB-334867 EMPA SB408124 TCS-OX2-29 MK1064 Seltorexant

Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Incubation Time	Activity Description	PMID
CHO	Function assay	30 mins	Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis, Ki = 0.0047 μM.	25267004
CHO	Function assay		Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium release, IC50 = 0.008 μM.	26317591
CHO	Function assay		Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay, IC50 = 0.008 μM.	23719231
CHO	Function assay		Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium release, IC50 = 0.013 μM.	26317591
CHO	Function assay		Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay, IC50 = 0.013 μM.	23719231
Click to View More Cell Line Experimental Data

Chemical Information, Storage & Stability

Molecular Weight	549.02	Formula	C₂₉H₃₂ClF₃N₂O₃	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	913358-93-7	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	ACT-078573 HCl			Smiles	CNC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC.Cl

Solubility

In vitro
Batch:

DMSO : 72 mg/mL (131.14 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 51 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Features	Orally bioavailable orexin receptor antagonist that has been tested in Phase III clinical trials for treatment of Insomnia.
Targets/IC₅₀/Ki	OX2 receptor 3.4 nM OX1 receptor 6.6 nM
In vitro	Almorexant inhibits the increase in intracellular Ca²⁺ induced by 10 nM human orexin-A in Chinese hamster ovary cells with IC50 of 16 nM (rat) and 13 nM (human) for the OX1 receptor and 15 nM (rat) and 8 nM (human) for the OX2 receptor.
In vivo	Almorexant (300 mg/kg p.o.) decreases alertness, and increases electrophysiological indices of both non-REM and REM sleep in male Wistar rats. In dogs, Almorexant (100 mg/kg p.o.) causes somnolence and increases surrogate markers of REM sleep. Almorexant induces a robust antidepressant-like effect and the restoration of stress-related HPA axis defect independently from a neurogenic action. In addition, Almorexant also reduces ethanol self-administration in high-drinking rodent models.
References	[1] https://pubmed.ncbi.nlm.nih.gov/17259994/ [2] https://pubmed.ncbi.nlm.nih.gov/22713907/ [3] https://pubmed.ncbi.nlm.nih.gov/24616657/

Applications

Methods	Biomarkers	PMID
Western blot	PhosphoTyr / SHP2	29467942
Growth inhibition assay	Tumor volume	29467942
IHC	OX1R / Activated caspase-3 H&E staining	29467942
Immunofluorescence	BDNF / NPY NPY / ORX-A	32066707
Representative autoradiograms	LC / TMN / DRN	22768296

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Handling Instructions

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