Efloxate - ≥99% , CAS No.119-41-5

CAS: 119-41-5 Cat. No.: E302542 Formule: C₁₉H₁₆O₅ Poids moléculaire: 324.33

QUALITÉ & PURETÉ ≥99%

Synonyms

CCG-213948 | Efloxatum | F85196 | Flavone-7-ethyl-oxyacetate | BRD-K55166090-001-03-3 | CZU6V3902K | Flacethyle | NCGC00182622-02 | NSC758891 | NSC-758891 | SR-01000760674-2 | HMS1439J12 | REC 1-0185 | Dilatan kore | EFLOXATE [MI] | NCGC00182622-03 | Oxyf

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

CCG-213948 | Efloxatum | F85196 | Flavone-7-ethyl-oxyacetate | BRD-K55166090-001-03-3 | CZU6V3902K | Flacethyle | NCGC00182622-02 | NSC758891 | NSC-758891 | SR-01000760674-2 | HMS1439J12 | REC 1-0185 | Dilatan kore | EFLOXATE [MI] | NCGC00182622-03 | Oxyf

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504751663

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751663

Sourires canoniques

CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

IUPAC Name

ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate

InChIKey

ZVXBAHLOGZCFTP-UHFFFAOYSA-N

INCHI

1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

Isomères SMILES

CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

Poids moléculaire

324.33

Reaxy-Rn

313027

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=313027&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavones
• Alternative Parents: Phenoxyacetic acid derivatives Chromones Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavone - Chromone - Phenoxyacetate - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).
• 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

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HepG2 (196354 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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Liver microsomes (16955 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

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Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

Discover Target: clpP

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 324.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 324.1 Da
• Monoisotopic Mass: 324.1 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 492.000
• 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