WZB 117 - ≥98% , CAS No.1223397-11-2

CAS: 1223397-11-2 Cat. No.: W287116 Fórmula: C₂₀H₁₃FO₆ Peso molecular: 368.31 Número CE: 802-469-4 PubChem CID: 46830365

GRADE & PURITY ≥98%

Synonyms

EX-A1492 | BCP24665 | BW167833 | [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate | AC-32898 | 3-FLUORO-2-(3-HYDROXYBENZOYLOXY)PHENYL 3-HYDROXYBENZOATE | HY-19331 | WZB-117, >=98% (HPLC) | SCHEMBL19183300 | C71842 | s7927 | WZB117 | WZB-117 | 12

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

EX-A1492 | BCP24665 | BW167833 | [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate | AC-32898 | 3-FLUORO-2-(3-HYDROXYBENZOYLOXY)PHENYL 3-HYDROXYBENZOATE | HY-19331 | WZB-117, >=98% (HPLC) | SCHEMBL19183300 | C71842 | s7927 | WZB117 | WZB-117 | 12

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

GLUT inhibitor (Ki(app)values are 0.2, 10 and 10 μM for GLUT4, GLUT1 and GLUT3, respectively). Competitive inhibitor of net glucose uptake but a noncompetitive inhibitor of sugar efflux from cells. Inhibits passive sugar transport in human erythrocytes an

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%

Nomes e identificadores

Pubchem Sid

488201362

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201362

Sorrisos canónicos

C1=CC(=CC(=C1)O)C(=O)OC2=C(C(=CC=C2)F)OC(=O)C3=CC(=CC=C3)O

IUPAC Name

[3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate

InChIKey

FRSWCCBXIHFKKY-UHFFFAOYSA-N

INCHI

1S/C20H13FO6/c21-16-8-3-9-17(26-19(24)12-4-1-6-14(22)10-12)18(16)27-20(25)13-5-2-7-15(23)11-13/h1-11,22-23H

SMILES isoméricas

C1=CC(=CC(=C1)O)C(=O)OC2=C(C(=CC=C2)F)OC(=O)C3=CC(=CC=C3)O

WGK Alemanha

3

PubChem CID

46830365

Peso molecular

368.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Depsides and depsidones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Depsides and depsidones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Depsides and depsidones
• Alternative Parents: m-Hydroxybenzoic acid esters Phenol esters Phenoxy compounds Benzoyl derivatives Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Carboxylic acid esters Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Depside backbone - M-hydroxybenzoic acid ester - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
• 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)

SLC2A1 Tchem Glucose transporter (14755 Activities)

Discover Target: SLC2A1

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

A549 (127892 Activities)

Explore this target

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

NCI-H1299 (3248 Activities)

Explore this target

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

SLC2A3 Tchem Solute carrier family 2, facilitated glucose transporter member 3 (465 Activities)

Discover Target: SLC2A3

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

SLC2A2 Tchem Solute carrier family 2, facilitated glucose transporter member 2 (428 Activities)

Discover Target: SLC2A2

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: 36.83, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 36.83, Max Conc. mM: 100
• Peso molecular: 368.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 368.07 Da
• Monoisotopic Mass: 368.07 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 527.000
• 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: 1