Introduction：Basic information about CAS 543906-09-8|mavoglurant, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | mavoglurant |
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| CAS Number | 543906-09-8 | Molecular Weight | 313.391 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 476.3±45.0 °C at 760 mmHg |
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| Molecular Formula | C19H23NO3 | Melting Point | / |
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| MSDS | / | Flash Point | 241.8±28.7 °C |
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Names
| 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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| Synonym | More Synonyms |
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mavoglurant BiologicalActivity
| Description | Mavoglurant is a structurally novel, non-competitive mGlu5 receptor antagonist, has an IC50 of 30 nM in a functional assay with human mGluR5.IC50 value: 30 nMTarget: mGluR5in vitro: Mavoglurant is a selective non-competitive antagonist which showed efficacy in the treatment of L-dopa induced dyskinesias in Parkinson's disease and Fragile X mental retardation in proof of principle studies. Mavoglurant is selective over the other mGluR subtypes, iGluRs and a panel of 238 CNS relevant receptors, transporter or enzymes. [1]In vivo: Mavoglurant shows an improved pharmacokinetic profile in rat and efficacy in the stress-induced hyperthermia test in mice as compared to the prototypic mGluR5 antagonist MPEP.[1] |
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| Related Catalog | Signaling Pathways >>GPCR/G Protein >>mGluRResearch Areas >>Neurological Disease |
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| References | [1]. Vranesic I, et al. AFQ056/mavoglurant, a novel clinically effective mGluR5 antagonist: identification, SAR and pharmacological characterization. Bioorg Med Chem. 2014 Nov 1;22(21):5790-5803. |
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Chemical & Physical Properties
| 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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| Molecular Formula | C19H23NO3 |
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| Molecular Weight | 313.391 |
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| Flash Point | 241.8±28.7 °C |
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| Exact Mass | 313.167786 |
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| PSA | 49.77000 |
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| LogP | 3.51 |
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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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| InChIKey | ZFPZEYHRWGMJCV-ZHALLVOQSA-N |
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| SMILES | COC(=O)N1CCC2C1CCCC2(O)C#Cc1cccc(C)c1 |
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| Storage condition | 2-8℃ |
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Synonyms
| Methyl (3aR,4S,7aR)-4-hydroxy-4-[(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylate |
| AFQ-056 |
| 1H-Indole-1-carboxylic acid,octahydro-4-hydroxy-4-(2-(3-methylphenyl)ethynyl)-,methyl ester,(3aR,4S,7aR) |
| UNII-GT0I9SV4F6 |
| Mavoglurant [INN] |
| mavoglurant |
| 1H-Indole-1-carboxylic acid, octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-, methyl ester, (3aR,4S,7aR)- |
| AFQ056 |
