2-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]acetic acid - Moligand™ , Antagonist of GluN1, CAS No.C609466, Antagonist of GluN1

CAS: C609466 Cat. No.: C609466 PubChem CID: 9863759

GRADE & PURITY Moligand™

Synonyms

compound 8

Storage

Room temperature

Specifications

Synonyms

compound 8

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of GluN1

Names and Identifiers

• Canonical Smiles: OC(=O)CN(S(=O)(=O)C)c1c(Cl)c(C)cc2c1[nH]c(=O)c(=O)[nH]2
• IUPAC Name: 2-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]acetic acid
• InChIKey: JQCXJCAKYWSWCH-UHFFFAOYSA-N
• INCHI: 1S/C12H12ClN3O6S/c1-5-3-6-9(15-12(20)11(19)14-6)10(8(5)13)16(4-7(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
• Isomeric SMILES: CC1=CC2=C(C(=C1Cl)N(CC(=O)O)S(=O)(=O)C)NC(=O)C(=O)N2
• PubChem CID: 9863759

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: Sulfanilides Alpha amino acids and derivatives Pyrazines Organosulfonamides Organic sulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Quinoxaline - Sulfanilide - Aryl chloride - Aryl halide - Pyrazine - Benzenoid - Organic sulfonic acid amide - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Organosulfonic acid or derivatives - Sulfonyl - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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)

GRIN1 Tclin Glutamate receptor ionotropic, NMDA 1 (2 Activities)

Discover Target: GRIN1

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

GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)

Discover Target: GRIN1

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action