NVP-AAM077 - Moligand™ , Antagonist of GluN2A;Antagonist of GluN2B, CAS No.459836-30-7, Antagonist of GluN2A;Antagonist of GluN2B

CAS: 459836-30-7 Cat. No.: N612438 Formule: C₁₇H₁₇BrN₃O₅P Poids moléculaire: 454.2 PubChem CID: 9868551

GRADE & PURITY Moligand™

Synonyms

Phosphonic acid, ((((1S)-1-(4-bromophenyl)ethyl)amino)(1,2,3,4-tetrahydro-2,3-dioxo-5-quinoxalinyl)methyl)- | ((((S)-1-(4-Bromophenyl)ethyl)amino)(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl)phosphonic acid | [[(S)-1-(4-Bromo-phenyl)-ethylamino]-(2

Storage

Room temperature

Specifications

Synonymes

Phosphonic acid, ((((1S)-1-(4-bromophenyl)ethyl)amino)(1,2,3,4-tetrahydro-2,3-dioxo-5-quinoxalinyl)methyl)- | ((((S)-1-(4-Bromophenyl)ethyl)amino)(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl)phosphonic acid | [[(S)-1-(4-Bromo-phenyl)-ethylamino]-(2

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of GluN2A;Antagonist of GluN2B

Noms et identifiants

Sourires canoniques

CC(C1=CC=C(C=C1)Br)NC(C2=C3C(=CC=C2)NC(=O)C(=O)N3)P(=O)(O)O

IUPAC Name

[[[(1S)-1-(4-bromophenyl)ethyl]amino]-(2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]phosphonic acid

InChIKey

XXZGNAZRWCBSBK-WFVOFKTRSA-N

INCHI

1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17?/m0/s1

Isomères SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(C2=C3C(=CC=C2)NC(=O)C(=O)N3)P(=O)(O)O

CAS alternatif

459836-30-7

PubChem CID

9868551

Termes d'entrée MeSH

(1RS,1'S)-PEAQX;5-(alpha-methyl-4-bromobenzylamino)phosphonomethyl-1,4-dihydroquinoxaline-2,3-dione;NVP-AAM077;PEAQX cpd

Poids moléculaire

454.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Bromobenzenes Pyrazines Aryl bromides Organic phosphonic acids Heteroaromatic compounds Lactams Azacyclic compounds Organophosphorus compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrazine - Benzenoid - Organophosphonic acid derivative - Organophosphonic acid - Heteroaromatic compound - Lactam - Azacycle - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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

Cibles associées (humaines)

GRIN2A Tclin Glutamate receptor ionotropic, NMDA 2A (0 Activities)

Discover Target: GRIN2A

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

GRIN2B Tclin Glutamate receptor ionotropic, NMDA 2B (0 Activities)

Discover Target: GRIN2B

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

GRIN3A Tclin Glutamate [NMDA] receptor subunit 3A (19 Activities)

Discover Target: GRIN3A

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

GRIN1 Tclin Glutamate [NMDA] receptor (933 Activities)

Discover Target: GRIN1

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

Cibles associées (non humaines)

Mus musculus (284745 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Grin1 Glutamate NMDA receptor; Grin1/Grin2b (1028 Activities)

Discover Target: Grin1

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

Grin1 Glutamate NMDA receptor; Grin1/Grin2a (798 Activities)

Discover Target: Grin1

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

Grin1 Glutamate NMDA receptor; Grin1/Grin2c (1127 Activities)

Discover Target: Grin1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 454.200 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 453.009 Da
• Monoisotopic Mass: 453.009 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 622.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

How should this product be stored?

Store at room temperature.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 459836-30-7, the molecular formula is C17H17BrN3O5P, and the molecular weight is 454.2 g/mol. InChIKey XXZGNAZRWCBSBK-WFVOFKTRSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.