Almorexant (ACT 078573)

Alias: ACT078573; ACT 078573; ACT-078573

Cat No.:V2576 Purity: ≥98%

COA Product Data Instructions for use SDS

Almorexant (also known as ACT078573) is a novel, potent, orally bioactive, competitive and dual orexin receptor antagonist with IC50 of 6.6 nM and 3.4 nM for OX1 and OX2 receptor, respectively.

Almorexant (ACT 078573) Chemical Structure CAS No.: 871224-64-5
Product category: OX Receptor

This product is for research use only, not for human use. We do not sell to patients.

Size	Price	Stock	Qty
5mg
10mg
25mg
50mg
100mg
250mg
500mg
Other Sizes

ADD TO CART CHECKOUT BULK INQUIRY

1-708-310-1919 sales@invivochem.com

Other Forms of Almorexant (ACT 078573):

Almorexant HCl (ACT 078573)

Official Supplier of:

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Clinical Trial Information
Biological Data

Product Description

Almorexant (also known as ACT078573) is a novel, potent, orally bioactive, competitive and dual orexin receptor antagonist with IC50 of 6.6 nM and 3.4 nM for OX1 and OX2 receptor, respectively. It might be used to treat sleeplessness. Almorexant functions as a competitive antagonist of hOX1R and a noncompetitive-like antagonist of hOX2R in the inositol phosphates assay. Moreover, almorexant affects sleep in a variety of species, including humans. In normal C57BL/6 mice, it decreases the amount of time spent awake and increases the amount of time spent in NREM and REM sleep, dose-dependently.

Biological Activity I Assay Protocols (From Reference)

Targets

human OX2R ( Kd = 0.17 nM ); human OX1R ( Kd = 1.3 nM ); Caspase-3

ln Vitro

In vitro activity: Agomelatine partially restores decreased doublecortin expression in the hippocampus of rats exposed to repeated footshock stress and fully restores stress-affected cell survival.[1]

ln Vivo

Agomelatine is useful in undoing the behavioral alterations in transgenic mice observed in the elevated plus maze and the Porsolt forced swim test. Additionally, after an induced phase shift, geomelatine significantly speeds up the circadian cycles of activity and temperature readjustment. [2] Agomelatine increases neurogenesis and cell proliferation in the adult rat ventral hippocampus (VH), a region relevant to mood disorders. In adult rats, geomelatine accelerates the ratio of mature to immature neurons and increases granular cell neurite outgrowth, indicating a faster rate of maturation. Additionally, Agomelatine activates a number of cellular signals, including glycogen synthase kinase 3beta, protein kinase B, and extracellular signal-regulated kinase1/2, which are known to be modulated by antidepressants and involved in the regulation of survival and proliferation. [3] In new pairs of rats exposed to a novel environment, Agomelatine increases the amount of time spent in active social interaction. [4] Agomelatine is consistent with its antidepressant-anxiolytic properties by increasing cell proliferation and neurogenesis in the ventral dentate gyrus of rats, a region notably implicated in response to emotion. In the whole dentate gyrus of rats, geomelatine improves the survival rate of recently formed neurons. [5]

Enzyme Assay

According to binding kinetic analyses, at hOX(1), [(3)H]almorexant exhibited fast association and dissociation rates, while at hOX(2), it exhibited a fast association rate and a remarkably slow dissociation rate.

Cell Assay

Almorexant (also known as ACT078573) is a novel, potent, orally bioactive, competitive, oral bioactive, dual orexin receptor antagonist, with IC50 values for the OX1 and OX2 receptors of 6.6 nM and 3.4 nM, respectively. It might be used to treat sleeplessness. Almorexant functions as a competitive antagonist of hOX1R and a noncompetitive-like antagonist of hOX2R in the inositol phosphates assay. Moreover, almorexant affects sleep in a variety of species, including humans.

Animal Protocol

Dissolved in Polyethylene glycol (PEG) 400 or 0.25% methylcellulose in water; 300 mg/kg; p.o. administration

Wistar rats.

References

[1]. Behav Brain Res . 2011 Mar 17;218(1):121-8.

[2]. Prog Neuropsychopharmacol Biol Psychiatry. 2005 Jul;29(6):908-16.

[3]. Neuropsychopharmacology . 2009 Oct;34(11):2390-403.

[4]. Psychopharmacology (Berl) . 2005 Feb;177(4):448-58.

[5]. Biol Psychiatry . 2006 Jun 1;59(11):1087-96.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula

C29H31F3N2O3

Molecular Weight

512.56

Exact Mass

512.23

Elemental Analysis

C, 67.95; H, 6.10; F, 11.12; N, 5.47; O, 9.36

CAS #

871224-64-5

Related CAS #

Almorexant hydrochloride; 913358-93-7; Almorexant-13C,d3; 871224-64-5

Appearance

Solid powder

SMILES

CNC(=O)[C@@H](C1=CC=CC=C1)N2CCC3=CC(=C(C=C3[C@@H]2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC

InChi Key

DKMACHNQISHMDN-RPLLCQBOSA-N

InChi Code

InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1

Chemical Name

(2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide

Synonyms

ACT078573; ACT 078573; ACT-078573

HS Tariff Code

2934.99.9001

Storage

Powder -20°C 3 years

4°C 2 years

In solvent -80°C 6 months

-20°C 1 month

Shipping Condition

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Solubility Data

Solubility (In Vitro)

DMSO: ~10 mM

Water: <1 mg/mL

Ethanol: N/A

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.9510 mL	9.7550 mL	19.5099 mL
	5 mM	0.3902 mL	1.9510 mL	3.9020 mL
	10 mM	0.1951 mL	0.9755 mL	1.9510 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Mass

Concentration

Volume

Molecular Weight*

Calculate Reset

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

Calculate Reset

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

Total molecular weight

g/mol

Calculate Reset

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Calculate Reset

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make 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 in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

% DMSO

% Tween 80

% ddH₂O

Calculate Reset

Calculation results

Working concentration： mg/mL；

Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O，mix and clarify.

Note： (1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.

Clinical Trial Information

NCT Number	Recruitment	interventions	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT00608985	Completed	Drug: almorexant Drug: Placebo	Primary Insomnia	Midnight Pharma, LLC	March 2008	Phase 3
NCT01243060	Completed	Drug: Almorexant Drug: Zolpidem 10mg	Healthy Volunteers	Northern California Institute of Research and Education	May 2011	Not Applicable
NCT00640848	Completed	Drug: almorexant	Schizoaffective Disorder Schizophrenia	Insomnia Primary Insomnia	May 2006	Phase 1
NCT01987739	Completed	Drug: 200 mg almorexant Drug: 400 mg almorexant	Abuse Potential Study	Midnight Pharma, LLC	September 2009	Phase 1

Biological Data

Effects of the unpredictable chronic mild stress (UCMS) and of 7-week treatment with fluoxetine (FLX, 20 mg/kg per day, per os (p.o.)) or almorexant (ALM, 100 mg/kg per day, p.o.) on the coat state, body weight and locomotor activity.Neuropsychopharmacology.2012 Sep;37(10):2210-21.

Almorexant HCl — Effects of the unpredictable chronic mild stress (UCMS) and 7-week treatment with fluoxetine or almorexanton behaviors.