L-Aspartic acid β-(7-amido-4-methylcoumarin) - for fluorescence analysis , CAS No.133628-73-6

CAS: 133628-73-6 Cat. No.: L431921 Peso molecular: 290.27 PubChem CID: 688365

GRADE & PURITY for Fluorescence analysis

Synonyms

L-Aspartic acid beta-(7-amido-4-methylcoumarin), fluorescent amino acid | H-Asp(Amc)-OH | L-Aspartic acid b-7-amido-4-methylcoumarin | MFCD00236804 | AKOS030213010 | 4-[(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)imino]homoserine | DTXSID10928221 | (2S)-2-azaniu

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

L-Aspartic acid beta-(7-amido-4-methylcoumarin), fluorescent amino acid | H-Asp(Amc)-OH | L-Aspartic acid b-7-amido-4-methylcoumarin | MFCD00236804 | AKOS030213010 | 4-[(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)imino]homoserine | DTXSID10928221 | (2S)-2-azaniu

Especificaciones y pureza

for fluorescence analysis

Mecanismos bioquímicos y fisiológicos

L-Aspartic acid-β-7-amido-4-methylcoumarin is sensitive and specific fluorogenic substrate used to assay for lysosomal glycoasparaginase (aspartylglucosaminidase) activity and the diagnosis of aspartylglucosaminuria. L-Aspartic acid β-(7-amido-4-methylco

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Grado

for Fluorescence analysis

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid
• InChIKey: ARZPQBJTLVVDNP-JTQLQIEISA-N
• INCHI: 1S/C14H14N2O5/c1-7-4-13(18)21-11-5-8(2-3-9(7)11)16-12(17)6-10(15)14(19)20/h2-5,10H,6,15H2,1H3,(H,16,17)(H,19,20)/t10-/m0/s1
• Isómeros SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C[C@@H](C(=O)O)N
• PubChem CID: 688365
• Peso molecular: 290.27

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 Asparagine and derivatives

• 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: Asparagine and derivatives
• Alternative Parents: Coumarins and derivatives 1-benzopyrans L-alpha-amino acids N-arylamides Pyranones and derivatives Fatty amides Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Amino acids Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Asparagine or derivatives - Coumarin - Alpha-amino acid - Benzopyran - 1-benzopyran - L-alpha-amino acid - N-arylamide - Pyranone - Fatty amide - Pyran - Benzenoid - Fatty acyl - Heteroaromatic compound - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Primary amine - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Punto de ebullición (°C): 610.0±55.0° C at 760 mmHg (Predicted)
• Peso molecular: 290.270 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 290.09 Da
• Monoisotopic Mass: 290.09 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 488.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1