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 Formule: C₁₅H₁₃FN₂ Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

MODULATOR

Mécanisme d'action

Metabotropic glutamate receptor 5 modulator

Pureté

≥98%

Propriétés du produit

• ALogP: 3.1

Noms et identifiants

• Pubchem Sid: 528766932
• Sourires canoniques: 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
• Isomères SMILES: CC1=CC(=NC(=C1N)C#CC2=CC(=CC=C2)F)C
• CAS alternatif: 757949-98-7
• Poids moléculaire: 240.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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)

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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