(S)-2,4-Diaminobutanoic acid hydrobromide - Moligand™, ≥98% , CAS No.73143-97-2

CAS: 73143-97-2 Cat. No.: L412845 Peso molecular: 199.05

GRADE & PURITY Moligand™, ≥98%

Synonyms

L-2,4-Diaminobutyric acid hydrobromide | L-DABA HBr | L-Dab hydrobromide | L-DABA hydrobromide | L-2,4-Diaminobutyric acid HBr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

L-DABA (L-2,4-Diaminobutyric acid) hydrobromide is a week GABA transaminase inhibitor with an IC50 of larger than 500 μM; exhibits antitumor activity in vivo and in vitro.

Targets

GABA (Cell-free assay) >500 μM

Specifications

Sinónimos

L-2, 4-Diaminobutyric acid hydrobromide | L-DABA HBr | L-Dab hydrobromide | L-DABA hydrobromide | L-2, 4-Diaminobutyric acid HBr

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

L-DAB HBR (L-Dab Hydrobromide, L-2, 4-Diaminobutyric acid hydrobromide) is an inhibitor of GABA (Gamma-aminobutyric acid) transaminase with IC50 of >500 μM. L-DAB HBR exhibits antitumor activity.

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

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(CN)C(C(=O)O)N.Br
• IUPAC Name: (2S)-2,4-diaminobutanoic acid;hydrobromide
• InChIKey: RVCHWEZQMFNGBK-DFWYDOINSA-N
• INCHI: 1S/C4H10N2O2.BrH/c5-2-1-3(6)4(7)8;/h3H,1-2,5-6H2,(H,7,8);1H/t3-;/m0./s1
• Isómeros SMILES: C(CN)[C@@H](C(=O)O)N.Br
• CAS alternativo: 1758-80-1
• Peso molecular: 199.05
• Reaxy-Rn: 6117697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6117697&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 acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Amino fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Hydrobromides Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Amino fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Hydrobromide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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: Solubility (25°C) In vitro Water: 23 mg/mL (115.54 mM); DMSO: Insoluble; Ethanol: Insoluble
• Sensibilidad: Moisture sensitive.
• Peso molecular: 199.050 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 198 Da
• Monoisotopic Mass: 198 Da
• Topological Polar Surface Area: 89.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 84.100
• 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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