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 Molecular Weight: 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

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-

Specifications & Purity

Moligand™, ≥99%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of mGlu 1 receptor

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 504764702
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764702
• Canonical Smiles: 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)
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC5=CC=CC=C5N=C4
• Alternate CAS: 226878-01-9
• MeSH Entry Terms: 2-quinoxaline-carboxamide-N-adamantan-1-yl;NPS 2390;NPS-2390;NPS2390
• Molecular Weight: 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
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

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

Associated Targets(Human)

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)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 15.37, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 15.37, Max Conc. mM: 50
• Molecular Weight: 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