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

CAS: 113919-36-1 Cat. No.: P287273 Molecular Weight: 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

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-

Biochemical and Physiological Mechanisms

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

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

ANTAGONIST

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: C1CN(CC(N1)C(=O)O)CP(=O)(O)O
• PubChem CID: 17756792
• Molecular Weight: 224.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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
• Description: 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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 22.42, Max Conc. mM: 100
• Molecular Weight: 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