S-BAIBA - Moligand™, ≥98% , CAS No.4249-19-8

CAS: 4249-19-8 Cat. No.: S340803 Fórmula: C₄H₉NO₂ Peso molecular: 103.12

GRADE & PURITY Moligand™, ≥98%

Synonyms

(+)-a-Methyl-b-alanine | L-2-methyl-beta-Alanine | (+)-.ALPHA.-METHYL-.BETA.-ALANINE | (+)-ss-Aminoisobutyric acid | (S)-3-Aminoisobutanoate | (S)-3-Amino-isobutanoate | S-b-aminoisobutyric acid | (+)-beta-Aminoisobutyric acid | (S)-.BETA.-AMINOISOBUTYRIC

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

(S)-β-Aminoisobutyric acid is a S-isomer of β-Aminoisobutyric acid. (S)-β-Aminoisobutyric acid can be produced through the catabolism of thymine and valine. (S)-β-Aminoisobutyric acid reduces apoptosis and increases the ratio of p-AMPK. (S)-β-Aminoisobutyric acid has cardioprotective effects. (S)-β-Aminoisobutyric acid is associated with acute aerobic exercise

Specifications

Sinónimos

(+)-a-Methyl-b-alanine | L-2-methyl-beta-Alanine | (+)-.ALPHA.-METHYL-.BETA.-ALANINE | (+)-ss-Aminoisobutyric acid | (S)-3-Aminoisobutanoate | (S)-3-Amino-isobutanoate | S-b-aminoisobutyric acid | (+)-beta-Aminoisobutyric acid | (S)-.BETA.-AMINOISOBUTYRIC

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504758706
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758706
• Sonrisas canónicas: CC(CN)C(=O)O
• IUPAC Name: (2S)-3-amino-2-methylpropanoic acid
• InChIKey: QCHPKSFMDHPSNR-VKHMYHEASA-N
• INCHI: 1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
• Isómeros SMILES: C[C@@H](CN)C(=O)O
• Peso molecular: 103.12
• Reaxy-Rn: 1720958
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720958&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 Beta amino acids 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
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• External Descriptors: Amino fatty acids

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

• Sensibilidad: Moisture sensitive
• Rotación específica [α]: [α]/D 13±2°, c = 1 in 0.5 M HCl
• Punto de fusión (°C): 179° C
• Peso molecular: 103.120 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.100
• 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: 1