Almorexant

Base Information

• Chemical Name: Almorexant
• CAS No.: 871224-64-5
• Molecular Formula: C29H31F3N2O3
• Molecular Weight: 512.572
• Mol file: 871224-64-5.mol

Synonyms:Almorexant;2-[(1S)-6,7-Dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide;(2R)-2-((1S)-6,7-Dimethoxy-1-{2-(4-(trifluoromethyl)phenyl)ethyl}-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide;3,4-Dihydro-6,7-dimethoxy-N-methyl-alpha-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2(1H)-isoquinolineacetamide;ACT-078573;

Chemical Property of Almorexant

Chemical Property:

• Boiling Point: 620.4 °C at 760 mmHg
• PKA: 15.04±0.46(Predicted)
• Flash Point: 329 °C
• PSA: 50.80000
• Density: 1.205 g/cm³
• LogP: 6.07070
• Solubility.: Soluble in DMSO

Purity/Quality:

99%, ^*data from raw suppliers

Almorexant hcl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Almorexant is a dual orexin receptor antagonist ACT-541468 used in the treatment of insomnia. It regulates sleep and wakefulness through two G protein-coupled receptors, namely Orexin 1 receptor and Orexin 2 receptor.

Technology Process of Almorexant

There total 16 articles about Almorexant which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

(R)-2-((S)-6,7-dimethoxy-1-(4-(trifluoromethyl)styryl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide → almorexant (871224-64-5)

Guidance literature:

With C₁₉H₂₆N₄O₆; oxygen; hydrazine hydrate; In ethanol; at 20 ℃; for 48h; under 760.051 Torr;

DOI:10.1039/c3ob40655e

Reference yield:

6,7-dimethoxy-1-[2-(4-trifluoromethyl-phenyl)-ethyl]-3,4-dihydroiso-quinoline (324076-69-9) + (S)-2-(methylamino)-2-oxo-1-phenylethyl 4-methylbenzenesulfonate (871224-68-9) → almorexant (871224-64-5)

Guidance literature:

With potassium carbonate; sodium hydroxide; In 4-methyl-2-pentanone; at 70 - 90 ℃;

Reference yield:

(S)-6,7-dimethoxy-1-(4-(trifluoromethyl)phenethyl)-1,2,3,4-tetrahydroisoquinoline (769172-81-8) + (S)-2-(methylamino)-2-oxo-1-phenylethyl 4-methylbenzenesulfonate (871224-68-9) → almorexant (871224-64-5)

Guidance literature:

With potassium carbonate; sodium hydroxide; In methylisobutylketone (MIBK); at 70 - 90 ℃;

upstream raw materials:

{(1S)-6,7-dimethoxy-1-[2-(4-trifluoromethyl-phenyl)-ethyl]-3,4-dihydro-1H-isoquinolin-2-yl}-phenyl-acetic acid

methylamine hydrochloride

(S)-6,7-dimethoxy-1-(4-(trifluoromethyl)phenethyl)-1,2,3,4-tetrahydroisoquinoline

N-methyl-2-bromo-2-phenylethanamide

Downstream raw materials:

almorexant hydrochloride

Refernces

Toward the development of bivalent ligand probes of cannabinoid CB1 and Orexin OX1 receptor heterodimers

10.1021/ml4004759

The research focuses on the design, synthesis, and testing of a series of bivalent ligands that target the heterodimers formed by Cannabinoid CB1 and Orexin OX1 receptors. The purpose of this study is to understand the interaction and roles of these receptor heterodimers in vitro and in vivo, which could potentially lead to novel therapeutic approaches for neurological disorders mediated by these receptors. The researchers synthesized bivalent ligands by combining the pharmacophores SR141716 (a CB1 antagonist) and ACT-078573 (an orexin antagonist). The study concluded that while most bivalent ligands showed reasonable potency at the CB1 receptor, they were largely inactive at the OX1 receptor. However, one compound with an 18-atom linker (compound 20) demonstrated enhanced activity against both receptors when coexpressed, suggesting a possible interaction with CB1-OX1 dimers.

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