2,3-Dihydroxyquinoxaline - ≥98% , CAS No.15804-19-0

CAS: 15804-19-0 Cat. No.: D123522 Molecular Weight: 162.15 Beilstein Registry Number: 136884 EC Number: 239-901-0

GRADE & PURITY ≥98%

Synonyms

doi:10.14272/ABJFBJGGLJVMAQ-UHFFFAOYSA-N.2 | NSC9431 | NSC-9431 | 1,2,3,4-tetrahydroquinoxaline-2,3-dione | F0266-0994 | AA-516/30054034 | UNII-APO55IZ9E1 | 2,3-Dihydroxyphenpiazine | D1010 | AB06251 | Quinoxaline-2,3(1H,4H)-dione | BDBM50008752 | HY-2080

Storage

Room temperature

Shipped In

Normal

Overview

2,3-Dihydroxyquinoxaline can undergo an electrophilic substitution reaction with sulphuric acid solution and potassium nitrate to form 2,3-dihydroxy-6-nitroquinoxaline.
A reactant with Ru3(CO)12 in DMSO to give the Ru(CO)2(dhq)(DMSO) complex

Specifications

Synonyms

doi:10.14272/ABJFBJGGLJVMAQ-UHFFFAOYSA-N.2 | NSC9431 | NSC-9431 | 1, 2, 3, 4-tetrahydroquinoxaline-2, 3-dione | F0266-0994 | AA-516/30054034 | UNII-APO55IZ9E1 | 2, 3-Dihydroxyphenpiazine | D1010 | AB06251 | Quinoxaline-2, 3(1H, 4H)-dione | BDBM50008752 | HY-2080

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183048
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183048
• Canonical Smiles: C1=CC=C2C(=C1)NC(=O)C(=O)N2
• IUPAC Name: 1,4-dihydroquinoxaline-2,3-dione
• InChIKey: ABJFBJGGLJVMAQ-UHFFFAOYSA-N
• INCHI: 1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)
• Isomeric SMILES: C1=CC=C2C(=C1)NC(=O)C(=O)N2
• WGK Germany: 3
• RTECS: VD2100000
• Molecular Weight: 162.15
• Beilstein: 136884
• Reaxy-Rn: 136884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136884&ln=

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: Pyrazines Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzenoid - Pyrazine - Heteroaromatic compound - Lactam - 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 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)

GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)

Discover Target: GRIN1

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Raji (5516 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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Associated Targets(non-human)

Cruzipain (33337 Activities)

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Plasmodium falciparum (966862 Activities)

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Bifunctional dihydrofolate reductase-thymidylate synthase (22 Activities)

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Grin1 Glutamate NMDA receptor (6467 Activities)

Discover Target: Grin1

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Gria2 Glutamate receptor ionotropic, AMPA (2103 Activities)

Discover Target: Gria2

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Grik1 Glutamate receptor ionotropic, kainate (722 Activities)

Discover Target: Grik1

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): >300°C
• Molecular Weight: 162.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.043 Da
• Monoisotopic Mass: 162.043 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 203.000
• 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