NPS2390 - Moligand™ , Allosteric modulator of mGlu 1 receptor, CAS No.N612383, Allosteric modulator of mGlu 1 receptor

CAS: N612383 Cat. No.: N612383 PubChem CID: 7067728

GRADE & PURITY Moligand™

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

Room temperature

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™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of mGlu 1 receptor

Nombres e identificadores

• Sonrisas canónicas: O=C(c1cnc2c(n1)cccc2)NC12CC3CC(C2)CC(C1)C3
• 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
• PubChem CID: 7067728

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

• 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