Almorexant HCl - ≥98% , CAS No.913358-93-7

CAS: 913358-93-7 Cat. No.: A412771 Formule: C29H32ClF3N2O3 Poids moléculaire: 549.02 Numéro CE: 695-905-6
DISPONIBLE À COMMANDE
GRADE & PURITY ≥98%
Synonyms
Almorexant (hydrochloride) | BA166116 | 913358-93-7(Almorexant HCl), 871224-64-5 (Almorexant). | AR,_1S)_- | (R)-2-((S)-6,7-Dimethoxy-1-(4-(trifluoromethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide hydrochloride | HY-10805A |
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Allemagne (EU)
USA*
Price
Qty
5mg
A412771-5mg
—
3 En stock
110,98€
10mg
A412771-10mg
—
3 En stock
148,30€
50mg
A412771-50mg
—
3 En stock
197,76€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

Information

Almorexant HCl (ACT-078573) is an orally active, dualorexin receptorantagonist withIC50of 6.6 nM and 3.4 nM for OX1 and OX2 receptor, respectively. Phase 3.


Targets

OX2 receptor ; OX1 receptor 3.4 nM; 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.

Specifications

Synonymes
Almorexant (hydrochloride) | BA166116 | 913358-93-7(Almorexant HCl), 871224-64-5 (Almorexant). | AR,_1S)_- | (R)-2-((S)-6,7-Dimethoxy-1-(4-(trifluoromethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide hydrochloride | HY-10805A |
Spécifications et pureté
≥98%
Mécanismes biochimiques et physiologiques
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.
Conditions de stockage de stockage
Store at -20°C
Expédié en
Ice chest + Ice pads
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Type d'action
ACTIVATOR
Pureté
≥98%
Noms et identifiants
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770027
Sourires canoniques
CNC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC.Cl
IUPAC Name
(2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide;hydrochloride
InChIKey
BYGBTDRDPBJUBB-LHIMUUITSA-N
INCHI
1S/C29H31F3N2O3.ClH/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);1H/t24-,27+;/m0./s1
Isomères 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.Cl
Poids moléculaire
549.02
Reaxy-Rn
51995859
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51995859&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
HCRTR1 Tclin Orexin receptor type 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HCRTR2 Tclin Orexin receptor type 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateArticle
I2217147Certificate of AnalysisJul 10, 2025 A412771
I2217170Certificate of AnalysisJul 10, 2025 A412771
I2217173Certificate of AnalysisJul 10, 2025 A412771
Propriétés chimiques et physiques
SolubilitéSolubility (25°C) In vitro DMSO: 100 mg/mL (182.14 mM); Ethanol: 100 mg/mL (182.14 mM); Water: Insoluble;
SensibilitéMoisture sensitive.
Poids moléculaire549.000 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass548.205 Da
Monoisotopic Mass548.205 Da
Topological Polar Surface Area50.800 Ų
Heavy Atom Count38
Formal Charge0
Complexity722.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Calculateurs de solution
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