HHQ - ≥98%(HPLC) , CAS No.40522-46-1

CAS: 40522-46-1 Cat. No.: H170188 Peso molecular: 243.34 Número EC: 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

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

La HHQ pertenece a los compuestos de 2-alquil-4-quinolona, que son lipofílicos y ligeramente solubles en agua.

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

La HHQ o 2-Heptil-4-quinolona es un modulador de la motilidad de los enjambres. La HHQ puede convertirse en PQS (señal de quinolona de Pseudomonas) mediante la proteína PqsH. La HHQ estimula la formación de vesículas, pero no tanto como la PQS

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: CCCCCCCC1=CC(=O)C2=CC=CC=C2N1
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

SLC2A1 Tchem Glucose transporter (14755 Activities)

Discover Target: SLC2A1

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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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Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Plasmodium falciparum (966862 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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

Referencias

1. Yankai Wang, Biao Hong, Baozang Yin, Yuan Li, Liuwei Huang, Shuang Tan, Tiancheng Gao, Manfred F. Maitz, Junsheng Zhang, Shunli Zheng, Can Huang, Hua Qiu, Jialong Chen, Xiangyang Li.  (2025)  Engineering Antibacterial, Biocompatible, Anti-Oxidant Titanium-Based Implants Using Polyphenols-Chlorhexidine Networks for Bone Regeneration.  Advanced Healthcare Materials,      [PMID:40270268] [10.1002/adhm.202404958]