NPS 2390 - Moligand™, ≥99%(HPLC) , Allosteric modulator of mGlu 1 receptor, CAS No.226878-01-9, Allosteric modulator of mGlu 1 receptor

CAS: 226878-01-9 Cat. No.: N286666 Peso molecular: 307.39

GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

ZKFVOZCCAXQXBU-UHFFFAOYSA-N | C19H21N3O | L000447 | N-340 | N-((3R,5R)-Adamantan-1-yl)quinoxaline-2-carboxamide | HY-11095 | NPS2390; NPS-2390 | EN300-27122307 | BJA87801 | NPS 2390, >=99% (HPLC), solid | PDSP1_001317 | EN300-20607230 | N-(1-Adamantyl)-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

ZKFVOZCCAXQXBU-UHFFFAOYSA-N | C19H21N3O | L000447 | N-340 | N-((3R, 5R)-Adamantan-1-yl)quinoxaline-2-carboxamide | HY-11095 | NPS2390; NPS-2390 | EN300-27122307 | BJA87801 | NPS 2390, >=99% (HPLC), solid | PDSP1_001317 | EN300-20607230 | N-(1-Adamantyl)-2-

Especificaciones y pureza

Moligand™, ≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Group I mGlu antagonist; displays noncompetitive antagonist activity at both mGlu1and mGlu5receptors. Thought to act on a site separate from the glutamate binding pocket.

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

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of mGlu 1 receptor

Pureza

≥99%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504764702
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764702
• Sonrisas canónicas: C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC5=CC=CC=C5N=C4
• IUPAC Name: N-(1-adamantyl)quinoxaline-2-carboxamide
• InChIKey: ZKFVOZCCAXQXBU-UHFFFAOYSA-N
• INCHI: 1S/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)
• Isómeros SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC5=CC=CC=C5N=C4
• CAS alternativo: 226878-01-9
• Términos de entrada MeSH: 2-quinoxaline-carboxamide-N-adamantan-1-yl;NPS 2390;NPS-2390;NPS2390
• Peso molecular: 307.39
• Reaxy-Rn: 14014785
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14014785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazinecarboxamides 2-heteroaryl carboxamides Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Benzenoid - Pyrazine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine 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)

GRM1 Tchem Metabotropic glutamate receptor 1 (1 Activities)

Discover Target: GRM1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 15.37, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 15.37, Max Conc. mM: 50
• Peso molecular: 307.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 307.168 Da
• Monoisotopic Mass: 307.168 Da
• Topological Polar Surface Area: 54.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 450.000
• 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