2-Quinoxalinecarboxylic acid - ≥97% , CAS No.879-65-2

CAS: 879-65-2 Cat. No.: Q113505 Molecular Weight: 174.16 Beilstein Registry Number: 25(5)4,345 EC Number: 632-974-3 PubChem CID: 96695

GRADE & PURITY ≥97%

Synonyms

2-quinoxaline carboxylic acid | STL558240 | FT-0687559 | DTXSID80236688 | W-204001 | 2-Quinoxalinecarboxylic acid, 97% | BDBM50518654 | EC-000.2271 | HMS2379P19 | SMR000068509 | Oleandrina | 2-Quinoxalinecarboxylic acid | VU0118494-2 | 2-QCA | AM20070439

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-quinoxaline carboxylic acid | STL558240 | FT-0687559 | DTXSID80236688 | W-204001 | 2-Quinoxalinecarboxylic acid, 97% | BDBM50518654 | EC-000.2271 | HMS2379P19 | SMR000068509 | Oleandrina | 2-Quinoxalinecarboxylic acid | VU0118494-2 | 2-QCA | AM20070439

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187011
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187011
• Canonical Smiles: C1=CC=C2C(=C1)N=CC(=N2)C(=O)O
• IUPAC Name: quinoxaline-2-carboxylic acid
• InChIKey: UPUZGXILYFKSGE-UHFFFAOYSA-N
• INCHI: 1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
• Isomeric SMILES: C1=CC=C2C(=C1)N=CC(=N2)C(=O)O
• WGK Germany: 3
• PubChem CID: 96695
• Molecular Weight: 174.16
• Beilstein: 25(5)4,345
• Reaxy-Rn: 6078

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazine carboxylic acids Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Pyrazine carboxylic acid - Pyrazine carboxylic acid or derivatives - Benzenoid - Pyrazine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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Associated Targets(non-human)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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Mycobacterium tuberculosis variant bovis (1746 Activities)

Explore this target

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 208°C
• Molecular Weight: 174.160 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 174.043 Da
• Monoisotopic Mass: 174.043 Da
• Topological Polar Surface Area: 63.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 208.000
• 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. Yiwei Tang, He Meng, Wenxiu Wang, Yang Song, Shuo Wang, Zhuanying Li, Xianghong Wang, Xuelian Hu.  (2023)  Off-line magnetic Fe3O4@SiO2@MIPs-based solid phase dispersion extraction coupling with HPLC for the simultaneous determination of olaquindox and its metabolite in fish muscle and milk samples.  Food Chemistry-X,      [PMID:36974171] [10.1016/j.fochx.2023.100611]