CGP 39551 - ≥99% , CAS No.127910-32-1

CAS: 127910-32-1 Cat. No.: C275038 Peso molecular: 237.19 Número EC: 694-678-0

GRADE & PURITY ≥99%

Synonyms

Cgp 39551 | (E)-(4-Amino-5-ethoxy-2-methyl-5-oxopent-2-en-1-yl)phosphonicacid | dl-(e)-2-amino-4-methyl-5-phosphono-3-pentenoic acid ethyl ester | E-2-amino-4-methyl-5 -phosphono-3-pentenoic acid ethyl ester | E-2-amino-4-methyl-5-phosphono-3-pentenoic ac

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

Cgp 39551 | (E)-(4-Amino-5-ethoxy-2-methyl-5-oxopent-2-en-1-yl)phosphonicacid | dl-(e)-2-amino-4-methyl-5-phosphono-3-pentenoic acid ethyl ester | E-2-amino-4-methyl-5 -phosphono-3-pentenoic acid ethyl ester | E-2-amino-4-methyl-5-phosphono-3-pentenoic ac

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Competitive NMDA receptor antagonist (K i = 310 nM for displacement of CPP binding in rat brain). Potent oral anticonvulsant activity in vivo .

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

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

Tipo de acción

ANTAGONIST

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488195732
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195732
• Sonrisas canónicas: CCOC(=O)C(C=C(C)CP(=O)(O)O)N
• IUPAC Name: [(E)-4-amino-5-ethoxy-2-methyl-5-oxopent-2-enyl]phosphonic acid
• InChIKey: OKDOWCKDTWNRCB-GQCTYLIASA-N
• INCHI: 1S/C8H16NO5P/c1-3-14-8(10)7(9)4-6(2)5-15(11,12)13/h4,7H,3,5,9H2,1-2H3,(H2,11,12,13)/b6-4+
• Isómeros SMILES: CCOC(=O)C(/C=C(\C)/CP(=O)(O)O)N
• Peso molecular: 237.19
• Reaxy-Rn: 37358779
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37358779&ln=

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 acid esters

• 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 acid esters
• Alternative Parents: Fatty acid esters Organic phosphonic acids Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Organophosphonic acid derivative - Organophosphonic acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 100 mM
• Peso molecular: 237.190 g/mol
• XLogP3: -3.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 237.077 Da
• Monoisotopic Mass: 237.077 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 295.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1