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

CAS: 73143-97-2 Cat. No.: L412845 Molecular Weight: 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

Overview

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

Synonyms

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

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C(CN)[C@@H](C(=O)O)N.Br
• Alternate CAS: 1758-80-1
• Molecular Weight: 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
    • Class 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
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro Water: 23 mg/mL (115.54 mM); DMSO: Insoluble; Ethanol: Insoluble
• Sensitivity: Moisture sensitive.
• Molecular Weight: 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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