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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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Purity: ≥98%
Filorexant (formerly known as MK-6096) is a novel, orally bioavailable, potent and selective reversible antagonist of OX(1)R and OX(2)R currently in clinical development for insomnia. In radioligand binding and functional cell based assays, MK-6096 demonstrated potent binding and antagonism of both human OX(1)R and OX(2)R. MK-6096 significantly increased sleep in dogs (0.25 and 0.5 mg/kg) and rats (3-30 mg/kg) and occupies 90% of human OX(2)Rs expressed in transgenic rats at a plasma concentration of 142 nM. It also significantly reduced locomotor activity. MK-6096 is a new and targeted medication for the management of sleeplessness.
| Targets |
Orexin receptor ( Ki < 3 nM )
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| ln Vitro |
Filorexant (MK-6096) exhibited strong binding and antagonistic effects on human OX(1)R and OX(2)R in radioligand binding and functional cell-based assays (<3 nM for binding and 11 nM for FLIPR), without causing any notable side effects on a panel of more than 170 receptors and enzymes. Filorexant (MK-6096) occupies 90% of human OX(2)Rs expressed in transgenic rats at a plasma concentration of 142 nM.
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| ln Vivo |
Filorexant (MK-6096) significantly increased sleep and decreased locomotor activity in a dose-dependent manner in rats (3-30 mg/kg) and dogs (0.25 and 0.5 mg/kg).
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| Animal Protocol |
The male Sprague Dawley rats (n = 8/study; age: 3-6 months; weight: 450-600 g) were kept in separate housing, given free access to food and water, and kept in a 12 h light/12 h dark cycle, with lights coming on at 4:00 and going off at 16:00. Utilizing a counterbalanced crossover design, sleep studies were performed to assess Filorexant (3 and 10 mg/kg, p.o.), DORA-22 (10 mg/kg, p.o.), and almorexant (3 and 30 mg/kg, p.o.). For DORA-22 and Filorexant, respectively, all animals were alternately treated with drug and vehicle daily for either 3 or 7 consecutive days: 2 baseline days (no dosing), a 2 day vehicle-only run-in, a 3 or 7-day arm of drug or vehicle, and a 3 or 7-day conditional crossover. The effects of compound treatments were assessed after administration in the active phase in comparison to the vehicle (20% Vitamin E TPGS, p.o.).
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| References |
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| Additional Infomation |
Filorexant has been used in trials studying the prevention and treatment of Migraine, Headache, Polysomnography, Diabetic Neuropathy, Painful, and Major Depressive Disorder, Recurrent.
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| Molecular Formula |
C24H25FN4O2
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|---|---|---|
| Molecular Weight |
420.49
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| Exact Mass |
420.196
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| Elemental Analysis |
C, 68.55; H, 5.99; F, 4.52; N, 13.32; O, 7.61
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| CAS # |
1088991-73-4
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| Related CAS # |
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| PubChem CID |
25128145
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
540.2±50.0 °C at 760 mmHg
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| Flash Point |
280.5±30.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.576
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| LogP |
2.77
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
31
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| Complexity |
588
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| Defined Atom Stereocenter Count |
2
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| SMILES |
FC1=C([H])N=C(C([H])=C1[H])OC([H])([H])[C@@]1([H])C([H])([H])N(C(C2C([H])=C(C([H])([H])[H])C([H])=C([H])C=2C2N=C([H])C([H])=C([H])N=2)=O)[C@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H]
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| InChi Key |
NPFDWHQSDBWQLH-QZTJIDSGSA-N
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| InChi Code |
InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
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| Chemical Name |
[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
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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 (5.95 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 (5.95 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 (5.95 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3782 mL | 11.8909 mL | 23.7818 mL | |
| 5 mM | 0.4756 mL | 2.3782 mL | 4.7564 mL | |
| 10 mM | 0.2378 mL | 1.1891 mL | 2.3782 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT01564459 | Completed | Drug: MK-6096 Drug: Placebo |
Diabetic Neuropathy, Painful | Merck Sharp & Dohme LLC | March 26, 2012 | Phase 2 |
| NCT01513291 | Completed | Drug: MK-6096 Drug: Placebo |
Migraine Headache |
Merck Sharp & Dohme LLC | February 6, 2012 | Phase 2 |
| NCT02549027 | Completed | Drug: MK-1064 Drug: MK-6096 Drug: Placebo |
Polysomnography | Merck Sharp & Dohme LLC | November 6, 2009 | Phase 1 |
| NCT01021852 | Completed | Drug: MK-6096 Drug: Dose-matched Placebo to MK-6096 |
Primary Insomnia | Merck Sharp & Dohme LLC | November 30, 2009 | Phase 2 |
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