JFD01307SC - 10mM in Water , CAS No.51070-56-5

CAS: 51070-56-5 Cat. No.: J424394 Peso molecular: 193.22

GRADE & PURITY 10mM in Water

Synonyms

NLJKAAYXSDTMSI-UHFFFAOYSA-N | CDS1_000151 | [(1,1-dioxidotetrahydrothien-3-yl)amino]acetic acid | AKOS016039817 | FT-0610778 | Acetic acid, 2-[(tetrahydro-3-thienyl)amino]-, S,S-dioxide | DivK1c_001191 | HY-W028047 | (1,1-Dioxo-tetrahydro-thiophen-3-ylami

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

JFD01307SC may be used in glutamine synthetase-mediated cell signaling studies. 

Specifications

Sinónimos

NLJKAAYXSDTMSI-UHFFFAOYSA-N | CDS1_000151 | [(1, 1-dioxidotetrahydrothien-3-yl)amino]acetic acid | AKOS016039817 | FT-0610778 | Acetic acid, 2-[(tetrahydro-3-thienyl)amino]-, S, S-dioxide | DivK1c_001191 | HY-W028047 | (1, 1-Dioxo-tetrahydro-thiophen-3-ylami

Especificaciones y pureza

10mM in Water

Mecanismos bioquímicos y fisiológicos

JFD01307SC is a glutamine synthetase inhibitor and anti-tuberculosis agent. It is believed to act as a mimic of L-Glutamate and thus target enzymes involved in glutamine biosynthesis. JFD01307SC showed activity against M. tuberculosis with MIC in the rang

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: C1CS(=O)(=O)CC1NCC(=O)O
• IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)amino]acetic acid
• InChIKey: NLJKAAYXSDTMSI-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO4S/c8-6(9)3-7-5-1-2-12(10,11)4-5/h5,7H,1-4H2,(H,8,9)
• Isómeros SMILES: C1CS(=O)(=O)CC1NCC(=O)O
• Peso molecular: 193.22
• Reaxy-Rn: 8544
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8544&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

• 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
• Direct Parent: Alpha amino acids
• Alternative Parents: Thiolanes Sulfones Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid - Sulfone - Thiolane - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

• Peso molecular: 193.220 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 193.041 Da
• Monoisotopic Mass: 193.041 Da
• Topological Polar Surface Area: 91.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1