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Mavoglurant (AFQ-056; AFQ056) is a potent and non-competitive mGlu5 (metabotropic glutamate receptor 5) receptor antagonist (IC50=30 nM) with the potential to be used for treatment of fragile X syndrome. It showed efficacy in the treatment of L-dopa induced dyskinesias in Parkinson's disease and Fragile X mental retardation in proof of principle studies.
| ln Vitro |
Mavoglurant (1 nM-10 μM; 10 min) totally antagonizes hmGluR5-mediated responses with IC50 of 110 and 30 nM, respectively, in Ca2+- and PI turnover tests in L(tk-) cells stably expressing mGluR5a [1] . Mavoglurant (0.01 nM-10 μM) displaces the binding of the allosteric binding ligand [3H]-AAE327 in a concentration-dependent manner in rat meninges with an IC50 of 47 nM [1].
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| ln Vivo |
Stress-induced hyperthermia (SIH) in mice is inhibited by mavoglurant (0.1–10 mg/kg; single oral dosage) in a dose-dependent manner [1]. Mavoglurant, at a single oral dose of 9.4 mg/kg, has a terminal half-life of 2.9 hours, a moderate oral bioavailability of 32%, and a Cmax of 950 pmol/mL and 3500 pmol/g in the brain and plasma, respectively [1]. Mavoglurant (3.1 mg/kg; intravenous injection; single dose) has a Tmax of less than 0.08 hours, a Cmax (plasma; brain) of 3330 pmol/mL, and a terminal half-life of 0.69 hours [1].
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| Animal Protocol |
Animal/Disease Models: Male OF1/IC mice [1]
Doses: 0.1, 1, 10 mg/kg Route of Administration: Single oral administration Experimental Results: Reduce stress-induced hyperthermia. It is equivalent to the positive control chlordiazepoxide. Animal/Disease Models: Male SD (SD (Sprague-Dawley)) rat (175-250 g) [1] Doses: 3.1 mg/kg intravenously (iv) (iv)(iv); 9.4 mg/kg orally (pharmacokinetic/PK/PK analysis) Route of Administration: Single iv or oral administration Experimental Results: Po: F=32%; T1/2=2.9 hrs (hrs (hours)); Tmax≤0.25 hrs (hrs (hours)). IV: T1/2=0.69h; Cmax (plasma/brain)=3330 pmol·mL-1/8400 pmol·g-1; Tmax≤0.08 hour. |
| References |
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| Additional Infomation |
Mavoglurant has been used in trials studying the treatment of Patient Diagnosed With OCD and and Resistant to SSRI Treatment (Failed SSRI Over 12 Weeks at Appropriate Doses).
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| Molecular Formula |
C19H23NO3
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|---|---|
| Molecular Weight |
313.397
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| Exact Mass |
313.167
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| CAS # |
543906-09-8
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| Related CAS # |
Mavoglurant racemate;1636881-61-2
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| PubChem CID |
9926832
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
476.3±45.0 °C at 760 mmHg
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| Flash Point |
241.8±28.7 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.602
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| LogP |
3.51
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
23
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| Complexity |
519
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC1=CC(=CC=C1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O
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| InChi Key |
ZFPZEYHRWGMJCV-ZHALLVOQSA-N
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| InChi Code |
InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
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| Chemical Name |
methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
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| Synonyms |
AFQ 056 AFQ-056 AFQ056
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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 |
| 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) |
DMSO : ~120 mg/mL (~382.91 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (9.57 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 30.0 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: ≥ 3 mg/mL (9.57 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 30.0 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: ≥ 3 mg/mL (9.57 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 | 3.1908 mL | 15.9541 mL | 31.9081 mL | |
| 5 mM | 0.6382 mL | 3.1908 mL | 6.3816 mL | |
| 10 mM | 0.3191 mL | 1.5954 mL | 3.1908 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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