HHQ - ≥98%(HPLC) , CAS No.40522-46-1

CAS: 40522-46-1 Cat. No.: H170188 Formule: C₁₆H₂₁NO Poids moléculaire: 243.34 Numéro CE: 895-787-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-heptylquinolin-4(1H)-one|40522-46-1|2-heptyl-4-quinolone|2503-80-2|2-heptyl-1H-quinolin-4-one|2-heptyl-4(1H)-quinolone|2-Heptyl-4-hydroxyquinoline|2-heptylquinolin-4-ol|TCMDC-132026|MY-12-62c|HHQ|MY 12-62c|4-hydroxy-2-heptylquinoline|CHEBI:62219|2-hepty

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

HHQ belongs to 2-alkyl-4-quinolone compounds, which are lipophilic and are slightly soluble in water.

Specifications

Synonymes

2-heptylquinolin-4(1H)-one | 40522-46-1 | 2-heptyl-4-quinolone | 2503-80-2 | 2-heptyl-1H-quinolin-4-one | 2-heptyl-4(1H)-quinolone | 2-Heptyl-4-hydroxyquinoline | 2-heptylquinolin-4-ol | TCMDC-132026 | MY-12-62c | HHQ | MY 12-62c | 4-hydroxy-2-heptylquinoline | CHEBI:62219 | 2-hepty

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

HHQ or 2-Heptyl-4-quinolone is a modulator of swarm motility. HHQ can be converted to PQS (Pseudomonas quinolone signal) by the PqsH protein. HHQ stimulates vesicle formation but not as much as PQS

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

528756379

Sourires canoniques

CCCCCCCC1=CC(=O)C2=CC=CC=C2N1

IUPAC Name

2-heptyl-1H-quinolin-4-one

InChIKey

UYRHHBXYXSYGHA-UHFFFAOYSA-N

INCHI

1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)

Isomères SMILES

CCCCCCCC1=CC(=O)C2=CC=CC=C2N1

WGK Allemagne

3

Poids moléculaire

243.34

Reaxy-Rn

1529939

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1529939&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 Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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: a tautomer

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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HepG2 (196354 Activities)

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A2780 (11979 Activities)

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HeLa (62764 Activities)

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Cibles associées (non humaines)

Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Plasmodium falciparum (966862 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 243.340 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 243.162 Da
• Monoisotopic Mass: 243.162 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 308.000
• 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