L-DAB HBR - 10mM in Water , CAS No.73143-97-2

CAS: 73143-97-2 Cat. No.: L425709 分子式: C₄H₁₁BrN₂O₂ 分子量: 199.05

GRADE & PURITY 10mM in Water

Synonyms

L-Dab Hydrobromide | L-2,4-Diaminobutyric acid hydrobromideButanoic acid,2,​4-​diamino-​,hydrobromide (1:1)​,(2S)​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Information

L-DAB HBR 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.

Targets

GABA (Cell-free assay) >500 μM

Specifications

同義語

L-Dab Hydrobromide | L-2,4-Diaminobutyric acid hydrobromideButanoic acid,2,​4-​diamino-​,hydrobromide (1:1)​,(2S)​-

仕様と純度

10mM in Water

生化学的・生理学的メカニズム

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.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528765125

カノニカル・スマイル

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

異性体SMILES

C(CN)[C@@H](C(=O)O)N.Br

代替CAS番号

1758-80-1

分子量

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
    • 分類 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
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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

XLogP3