Raseglurant - Moligand™, ≥98% , Metabotropic glutamate receptor 5 modulator, CAS No.757950-09-7, Metabotropic glutamate receptor 5 modulator

CAS: 757950-09-7 Cat. No.: R669088 Fórmula: C₁₅H₁₃FN₂ Peso molecular: 240.27

GRADE & PURITY Moligand™, ≥98%

Synonyms

Raseglurant | Raseglurant [INN] | ADX-10059 | UNII-66UCJ8Z8L1 | 66UCJ8Z8L1 | 2-(2-(3-Fluorophenyl)ethynyl)-4,6-dimethylpyridin-3-amine | ADX10059 | 2-[2-(3-Fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Raseglurant (ADX-10059) is a mGlu5 receptor negative allosteric modulator. Raseglurant is effective against migraine. Raseglurant reduces the Haloperidol (HY-14538)-induced catalepsy in mice .

Specifications

Sinónimos

Raseglurant | Raseglurant [INN] | ADX-10059 | UNII-66UCJ8Z8L1 | 66UCJ8Z8L1 | 2-(2-(3-Fluorophenyl)ethynyl)-4,6-dimethylpyridin-3-amine | ADX10059 | 2-[2-(3-Fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

MODULATOR

Mecanismo de acción

Metabotropic glutamate receptor 5 modulator

Pureza

≥98%

Propiedades del producto

• ALogP: 3.1

Nombres e identificadores

• Pubchem Sid: 528766932
• Sonrisas canónicas: CC1=CC(=NC(=C1N)C#CC2=CC(=CC=C2)F)C
• IUPAC Name: 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine
• InChIKey: MEDCLNYIYBERKO-UHFFFAOYSA-N
• INCHI: 1S/C15H13FN2/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12/h3-5,8-9H,17H2,1-2H3
• Isómeros SMILES: CC1=CC(=NC(=C1N)C#CC2=CC(=CC=C2)F)C
• CAS alternativo: 757949-98-7
• Peso molecular: 240.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Methylpyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Methylpyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organofluoride - Organonitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

GRM5 Tchem Metabotropic glutamate receptor 5 (1 Activities)

Discover Target: GRM5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 240.270 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.106 Da
• Monoisotopic Mass: 240.106 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 343.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1