PMPA (NMDA antagonist) , CAS No.113919-36-1

CAS: 113919-36-1 Cat. No.: P287273 Peso molecular: 224.15 PubChem CID: 17756792

Synonyms

J-003041 | HY-107698 | Pmpa(nmda antagonist) | 4-(PHOSPHONOMETHYL)PIPERAZINE-2-CARBOXYLIC ACID | PD079296 | NCGC00159547-01 | 2-Piperazinecarboxylic acid, 4-(phosphonomethyl)- | AKOS024457022 | PMPA (NMDA antagonist) | SCHEMBL1999794 | DTXSID30590848 | 4-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

J-003041 | HY-107698 | Pmpa(nmda antagonist) | 4-(PHOSPHONOMETHYL)PIPERAZINE-2-CARBOXYLIC ACID | PD079296 | NCGC00159547-01 | 2-Piperazinecarboxylic acid, 4-(phosphonomethyl)- | AKOS024457022 | PMPA (NMDA antagonist) | SCHEMBL1999794 | DTXSID30590848 | 4-

Mecanismos bioquímicos y fisiológicos

Competitive NMDA receptor antagonist. Displays Kivalues of 0.84, 2.74, 3.53 and 4.16μM at GluN2A, GluN2B, GluN2C and GluN2D subunit-containing receptors respectively. Selective over AMPA receptors.Please refer toIUPHAR Guide to Pharmacologyfor the most re

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Nombres e identificadores

• Sonrisas canónicas: C1CN(CC(N1)C(=O)O)CP(=O)(O)O
• IUPAC Name: 4-(phosphonomethyl)piperazine-2-carboxylic acid
• InChIKey: ILRBBHJXTYIHTP-UHFFFAOYSA-N
• INCHI: 1S/C6H13N2O5P/c9-6(10)5-3-8(2-1-7-5)4-14(11,12)13/h5,7H,1-4H2,(H,9,10)(H2,11,12,13)
• Isómeros SMILES: C1CN(CC(N1)C(=O)O)CP(=O)(O)O
• PubChem CID: 17756792
• Peso molecular: 224.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Piperazine carboxylic acids N-alkylpiperazines Organic phosphonic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid - Piperazine-2-carboxylic acid - N-alkylpiperazine - 1,4-diazinane - Piperazine - Organophosphonic acid - Organophosphonic acid derivative - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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 (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 22.42, Max Conc. mM: 100
• Peso molecular: 224.150 g/mol
• XLogP3: -7.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 224.056 Da
• Monoisotopic Mass: 224.056 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 265.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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