Decoquinate - ≥97% , CAS No.18507-89-6

CAS: 18507-89-6 Cat. No.: D129504 Molecular Weight: 417.54 EC Number: 242-389-1

GRADE & PURITY ≥97%

Synonyms

6-Decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylic Acid Ethyl Ester | Ethyl 6-Decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylate | Deccox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Decoquinate is a coccidiostat.Decoquinate is a quinolone coccidiostat used in poultry, to retard the growth of coccidian parasites and can also show activity against Plasmodium falciparum parasite, which causes malaria in humans.

Specifications

Synonyms

6-Decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylic Acid Ethyl Ester | Ethyl 6-Decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylate | Deccox

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488183093
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183093
• Canonical Smiles: CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)OCC
• IUPAC Name: ethyl 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylate
• InChIKey: JHAYEQICABJSTP-UHFFFAOYSA-N
• INCHI: 1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)
• Isomeric SMILES: CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)OCC
• RTECS: VB1983800
• Molecular Weight: 417.54
• Reaxy-Rn: 23245995
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23245995&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Pyridinecarboxylic acids Alkyl aryl ethers Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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: 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

Associated Targets(Human)

HepG2 (196354 Activities)

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plasmodium falciparum (966862 Activities)

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Plasmodium berghei (192651 Activities)

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Plasmodium yoelii (6656 Activities)

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Gallus gallus (1187 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 0.01 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Melt Point(°C): 243 °C
• Molecular Weight: 417.500 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 417.252 Da
• Monoisotopic Mass: 417.252 Da
• Topological Polar Surface Area: 73.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 562.000
• 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

References

1. Ruonan Bo, Xingru Dai, Jie Huang, Simin Wei, Mingjiang Liu, Jingui Li.  (2020)  Evaluation of optimum conditions for decoquinate nanoliposomes and their anticoccidial efficacy against diclazuril-resistant Eimeria tenella infections in broilers.  VETERINARY PARASITOLOGY,      [PMID:32683214] [10.1016/j.vetpar.2020.109186]