L-Alanine 7-amido-4-methylcoumarin, trifluoroacetate salt - ≥98% , CAS No.96594-10-4

CAS: 96594-10-4 Cat. No.: L331448 Peso molecular: 360.29 PubChem CID: 2733806

GRADE & PURITY ≥98%

Synonyms

H-Ala-AMC⋅TFA | L-Alanine 4-methyl-7-coumarinylamide trifluoroacetate salt

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

L-Alanine 7-amido-4-methylcoumarin, trifluoroacetate salt is a fluorogenic substrate for aminopeptidase which yields a blue fluorescent solution.

Specifications

Sinónimos

H-Ala-AMC⋅TFA | L-Alanine 4-methyl-7-coumarinylamide trifluoroacetate salt

Especificaciones y pureza

≥98%

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.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192439
• Sonrisas canónicas: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(C)N.C(=O)(C(F)(F)F)O
• IUPAC Name: (2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)propanamide;2,2,2-trifluoroacetic acid
• InChIKey: YYGKKBUKGNFDJW-QRPNPIFTSA-N
• INCHI: 1S/C13H14N2O3.C2HF3O2/c1-7-5-12(16)18-11-6-9(3-4-10(7)11)15-13(17)8(2)14;3-2(4,5)1(6)7/h3-6,8H,14H2,1-2H3,(H,15,17);(H,6,7)/t8-;/m0./s1
• Isómeros SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](C)N.C(=O)(C(F)(F)F)O
• WGK Alemania: 3
• PubChem CID: 2733806
• Peso molecular: 360.29

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 amides

• 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 amides
• Alternative Parents: Alanine and derivatives Coumarins and derivatives 1-benzopyrans N-arylamides Pyranones and derivatives Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Alpha-amino acid amide - Coumarin - Alanine or derivatives - Benzopyran - 1-benzopyran - N-arylamide - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide 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 (50 mg/ml), and methanol (50 mg/ml).
• Índice de refracción: n20D~1.63 (Predicted)
• Rotación específica [α]: α20D+8.5±1, c = 1 in methanol
• Peso molecular: 360.280 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 360.093 Da
• Monoisotopic Mass: 360.093 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 475.000
• 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: 2

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