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| 25mg |
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Purity: ≥98%
Almorexant HCl (also known as ACT-078573; ACT078573), the hydrochloride salt of Almorexant, is a novel, potent, orally bioactive, competitive and dual orexin1/2 receptor antagonist indicated for the treatment of sleep disorders/insomnia. It inhibits OX1 and OX2 receptors with IC50s of 6.6 nM and 3.4 nM, respectively. Almorexant exhibits competitive antagonistic effects on hOX1R and noncompetitive-like effects on hOX2R in the inositol phosphates assay. Almorexant also has an impact on sleep in a variety of species, including humans. In normal C57BL/6 mice, it dose-dependently shortens the amount of time spent awake and lengthens the amount of time spent in NREM and REM sleep.
| Targets |
human OX2R ( Kd = 0.17 nM ); human OX1R ( Kd = 1.3 nM ); Caspase-3
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| ln Vitro |
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| ln Vivo |
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| 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.
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| 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.
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| Animal Protocol |
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| References |
| Molecular Formula |
C29H32CLF3N2O3
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| Molecular Weight |
549.02
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| Exact Mass |
548.21
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| Elemental Analysis |
C, 63.44; H, 5.88; Cl, 6.46; F, 10.38; N, 5.10; O, 8.74
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| CAS # |
913358-93-7
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| Related CAS # |
Almorexant; 871224-64-5
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| Appearance |
Solid powder
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| 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
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| InChi Key |
BYGBTDRDPBJUBB-LHIMUUITSA-N
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| InChi Code |
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
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| 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;hydrochloride
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.55 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.55 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (4.55 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 2% DMSO+25% β-cyclodextrin+saline: 9 mg/mL |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8214 mL | 9.1071 mL | 18.2143 mL | |
| 5 mM | 0.3643 mL | 1.8214 mL | 3.6429 mL | |
| 10 mM | 0.1821 mL | 0.9107 mL | 1.8214 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.
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.
(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.
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