TFB-TBOA - ≥98%(HPLC) , CAS No.480439-73-4

CAS: 480439-73-4 Cat. No.: T286703 Fórmula: C₁₉H₁₇F₃N₂O₆ Peso molecular: 426.35 PubChem CID: 52941382

GRADE & PURITY ≥98%(HPLC)

Synonyms

(3S)-3-[[3-[[4-(Trifluoromethyl)benzoyl]amino]phenyl]methoxy]-L-aspartic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(3S)-3-[[3-[[4-(Trifluoromethyl)benzoyl]amino]phenyl]methoxy]-L-aspartic acid

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potent and selective glial glutamate transporter EAAT1 and EAAT2 inhibitor (IC50values are 17, 22 and 300 nM for EAAT2, EAAT1 and EAAT3 respectively). Has no effect on EAAT4 and EAAT5, or a wide range of neuronal receptors and transporters. Attenuates glu

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

• Sorrisos canónicos: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F)COC(C(C(=O)O)N)C(=O)O
• IUPAC Name: (2S,3S)-2-amino-3-[[3-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methoxy]butanedioic acid
• InChIKey: LPWONNPEPDHEAI-GJZGRUSLSA-N
• INCHI: 1S/C19H17F3N2O6/c20-19(21,22)12-6-4-11(5-7-12)16(25)24-13-3-1-2-10(8-13)9-30-15(18(28)29)14(23)17(26)27/h1-8,14-15H,9,23H2,(H,24,25)(H,26,27)(H,28,29)/t14-,15-/m0/s1
• SMILES isoméricas: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O
• PubChem CID: 52941382
• Peso molecular: 426.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Aspartic acid and derivatives Trifluoromethylbenzenes L-alpha-amino acids Benzamides Benzylethers Benzoyl derivatives Monosaccharides Dicarboxylic acids and derivatives Amino acids Secondary carboxylic acid amides Dialkyl ethers Carboxylic acids Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Aspartic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Trifluoromethylbenzene - L-alpha-amino acid - Benzamide - Benzoic acid or derivatives - Benzylether - Benzoyl - Dicarboxylic acid or derivatives - Monosaccharide - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Carboxylic acid - Dialkyl ether - Organonitrogen compound - Primary amine - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Amine - Organooxygen compound - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Alvos associados (humanos)

SLC1A1 Tchem Excitatory amino acid transporter 3 (4 Activities)

Discover Target: SLC1A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC1A3 Tchem Excitatory amino acid transporter 1 (3 Activities)

Discover Target: SLC1A3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC1A2 Tchem Excitatory amino acid transporter 2 (4 Activities)

Discover Target: SLC1A2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC1A1 Tchem Excitatory amino acid transporter 3 (527 Activities)

Discover Target: SLC1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC1A3 Tchem Excitatory amino acid transporter 1 (586 Activities)

Discover Target: SLC1A3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Slc1a2 Excitatory amino acid transporter 2 (39 Activities)

Discover Target: Slc1a2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slc1a6 Excitatory amino acid transporter 4 (71 Activities)

Discover Target: Slc1a6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 21.32, Max Conc. mM: 50
• Peso molecular: 426.300 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 426.104 Da
• Monoisotopic Mass: 426.104 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 622.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 480439-73-4, the molecular formula is C??H??F?N?O?, and the molecular weight is 426.35 g/mol. InChIKey LPWONNPEPDHEAI-GJZGRUSLSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.