α-Keto-γ-(methylthio)butyric acid sodium salt - ≥97% , CAS No.51828-97-8

CAS: 51828-97-8 Cat. No.: K464253 Peso molecular: 170.16 Número EC: 622-199-9

GRADE & PURITY ≥97%

Synonyms

2EZY36W75U | HY-135046 | Q27254641 | 4-Methylthio-2-oxobutanoic acid [FHFI] | Sodium 4-(methylthio)-2-oxobutanoate | 4-Methylthio-2-oxobutanoic acid sodium salt | Butanoic acid, 4-(methylthio)-2-oxo-, monosodium salt | MTOB | VALGANCICLOVIR HYDROCHLORIDE

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

MTOB sodium is a potent C-terminal binding protein (CtBP) inhibitor. MTOB sodium alleviates neurodysfunction and neuroinflammation caused by repetitive brain injury by inhibiting the trans-activation of CtBP1 and CtBP2. MTOB sodium antagonizes the transcriptional regulatory activity of CtBP1 and CtBP2 in breast cancer cell lines by excluding their target promoters

Specifications

Sinónimos

2EZY36W75U | HY-135046 | Q27254641 | 4-Methylthio-2-oxobutanoic acid [FHFI] | Sodium 4-(methylthio)-2-oxobutanoate | 4-Methylthio-2-oxobutanoic acid sodium salt | Butanoic acid, 4-(methylthio)-2-oxo-, monosodium salt | MTOB | VALGANCICLOVIR HYDROCHLORIDE

Especificaciones y pureza

≥97%

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.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CSCCC(=O)C(=O)[O-].[Na+]
• IUPAC Name: sodium;4-methylsulfanyl-2-oxobutanoate
• InChIKey: IFSCKRWNXKWTLR-UHFFFAOYSA-M
• INCHI: 1S/C5H8O3S.Na/c1-9-3-2-4(6)5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1
• Isómeros SMILES: CSCCC(=O)C(=O)[O-].[Na+]
• WGK Alemania: 3
• Peso molecular: 170.16
• Reaxy-Rn: 14531000
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14531000&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Thia fatty acids
• Alternative Parents: Short-chain keto acids and derivatives Alpha-keto acids and derivatives Ketones Carboxylic acid salts Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Short-chain keto acid - Thia fatty acid - Alpha-keto acid - Keto acid - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic sodium salt - Organic salt - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.
• 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

• Sensibilidad: Moisture Sensitive
• Peso molecular: 170.160 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 170.001 Da
• Monoisotopic Mass: 170.001 Da
• Topological Polar Surface Area: 82.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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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