Ethoxyquin - 10mM in DMSO , CAS No.91-53-2

CAS: 91-53-2 Cat. No.: E426909 Formule: C₁₄H₁₉NO Poids moléculaire: 217.31 Beilstein Registry Number: 158223 Numéro CE: 202-075-7

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

NCGC00016348-07 | Nocrack AW | Spectrum3_001423 | Antage AW | IDI1_000183 | SPBio_002749 | BSPBio_000810 | HSDB 400 | MFCD00023883 | BIDD:GT0822 | DivK1c_000183 | 6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline | Spectrum_001214 | HMS1923K03 | Niflex | Spec

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Ethoxyquin acts as a synthetic antioxidant which inhibits chemically induced carcinogenesis, where it exerts its chemopreventive action by inducing glutathione synthetase and the phase II drug metabolizing enzyme, glutathione S-transferase (GST).
A synthetic antioxidant which inhibits chemically induced carcinogenesis.

Spécifications

Synonymes

NCGC00016348-07 | Nocrack AW | Spectrum3_001423 | Antage AW | IDI1_000183 | SPBio_002749 | BSPBio_000810 | HSDB 400 | MFCD00023883 | BIDD:GT0822 | DivK1c_000183 | 6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline | Spectrum_001214 | HMS1923K03 | Niflex | Spec

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Pubchem Sid

528769356

Sourires canoniques

CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C

IUPAC Name

6-ethoxy-2,2,4-trimethyl-1H-quinoline

InChIKey

DECIPOUIJURFOJ-UHFFFAOYSA-N

INCHI

1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3

Isomères SMILES

CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C

WGK Allemagne

1

RTECS

VB8225000

Poids moléculaire

217.31

Beilstein

158223

Reaxy-Rn

158223

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=158223&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Secondary alkylarylamines Alkyl aryl ethers Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Secondary amine - Ether - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• External Descriptors: aromatic ether - quinolines

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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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Indice de réfraction: 1.569-1.627
• Point d'éclair (°C): 137 °C
• Point d'ébullition (°C): 169°C
• Poids moléculaire: 217.310 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.147 Da
• Monoisotopic Mass: 217.147 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 282.000
• 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