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| | (3aR,4S,7aR)-Octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylic acid methyl ester Basic information |
| | (3aR,4S,7aR)-Octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylic acid methyl ester Chemical Properties |
| Melting point | 119 - 121°C | | Boiling point | 476.3±45.0 °C(Predicted) | | density | 1.21 | | storage temp. | 2-8°C | | solubility | DMSO (Slightly), Methanol (Slightly) | | pka | 12.75±0.20(Predicted) | | form | Solid | | color | White to Off-White | | InChI | 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 | | InChIKey | ZFPZEYHRWGMJCV-ZHALLVOQSA-N | | SMILES | N1(C(OC)=O)[C@@]2([H])[C@]([H])([C@](O)(C#CC3=CC=CC(C)=C3)CCC2)CC1 |
| WGK Germany | WGK 3 | | Storage Class | 11 - Combustible Solids |
| | (3aR,4S,7aR)-Octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylic acid methyl ester Usage And Synthesis |
| Uses | Mavoglurant is a non-competitive metabotropic glutamate receptor 5 (mGlu5) receptor antagonist. | | Biological Activity | Orally active, potent and selective mGluR5 antagonist.
AFQ056 (Mavoglurant) is an orally active, potent and selective antagonist of metabotropic glutamate receptor 5 (mGluR5). AFQ056 was investigated for treatment of fragile X syndrome and for Parkinsonμs disease. | | in vivo | Mavoglurant (0.1-10 mg/kg; a single p.o.) inhibits the stress-induced hyperthermia (SIH) in a dose-dependent manner in mice[1].
Mavoglurant (9.4 mg/kg; a single p.o.) exhibits moderate oral bioavailability (32%), terminal half-life (2.9 h) and Cmax (plasma; brain) (950 pmol/mL; 3500 pmol/g)[1].
Mavoglurant (3.1 mg/kg; a single i.v.) exhibits terminal half-life (0.69 h), Cmax (plasma; brain) (3330 pmol/mL; 8400 pmol/g) and Tmax (≤0.08 h)[1]. | Animal Model: | Male OF1/IC mice[1] | | Dosage: | 0.1, 1, 10 mg/kg | | Administration: | A single p.o. administration | | Result: | Attenuated the stress-induced hyperthermia.
Was comparable to the positive control Chlordiazepoxide.
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| Animal Model: | Male Sprague-Dawley rats (175-250 g)[1] | | Dosage: | 3.1 mg/kg for i.v.; 9.4 mg/kg for p.o. (Pharmacokinetic Analysis) | | Administration: | A single i.v. or p.o. administration | | Result: | P.o.: F=32%; T1/2=2.9 h; Tmax≤0.25 h.
I.v.: T1/2=0.69 h; Cmax (plasma/brain)=3330 pmolmL-1/8400 pmolg-1; Tmax≤0.08 h.
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| | IC 50 | mGluR5: 30 nM (IC50) |
| | (3aR,4S,7aR)-Octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylic acid methyl ester Preparation Products And Raw materials |
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