UBP1112 - ≥99%(HPLC) , CAS No.339526-74-8

CAS: 339526-74-8 Cat. No.: U287605 Fórmula: C₁₀H₁₄NO₅P Peso molecular: 259.2 PubChem CID: 5022489

GRADE & PURITY ≥99%(HPLC)

Synonyms

α-Methyl-3-methyl-4-phosphonophenylglycine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

α-Methyl-3-methyl-4-phosphonophenylglycine

Especificações e pureza

≥99%(HPLC)

Mecanismos bioquímicos e fisiológicos

A selective group III mGlu receptor antagonist (apparent Kdvalues are 5.1 and 488μM for group III and group II mGlu receptors respectively; IC50> 1 mM for group I, NMDA, AMPA and kainate receptors).

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%(HPLC)

Nomes e identificadores

• Sorrisos canónicos: CC1=C(C=CC(=C1)C(C)(C(=O)O)N)P(=O)(O)O
• IUPAC Name: 2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid
• InChIKey: LLEOLNUKLKCAFG-UHFFFAOYSA-N
• INCHI: 1S/C10H14NO5P/c1-6-5-7(10(2,11)9(12)13)3-4-8(6)17(14,15)16/h3-5H,11H2,1-2H3,(H,12,13)(H2,14,15,16)
• SMILES isoméricas: CC1=C(C=CC(=C1)C(C)(C(=O)O)N)P(=O)(O)O
• PubChem CID: 5022489
• Peso molecular: 259.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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: Toluenes Aralkylamines Organic phosphonic acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid - Aralkylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Organophosphonic acid - Organophosphonic acid derivative - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organophosphorus compound - Primary amine - Aromatic homomonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:1eq. NaOH, Max Conc. mg/mL: None, Max Conc. mM: 100
• Peso molecular: 259.200 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 259.061 Da
• Monoisotopic Mass: 259.061 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 355.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 339526-74-8, the molecular formula is C??H??NO?P, and the molecular weight is 259.2 g/mol. InChIKey LLEOLNUKLKCAFG-UHFFFAOYSA-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.