Tetrahydroxy-1,4-quinone hydrate (THQ) - ≥98% , CAS No.319-89-1

CAS: 319-89-1 Cat. No.: T303427 Peso molecular: 172.1(anhy) Número EC: 206-275-5 PubChem CID: 5424

GRADE & PURITY ≥98%

Synonyms

2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione | Tetrahydroxy-1,4-benzoquinone | 2,3,5,6-Tetrahydroxy-2,5-cyclohexadiene-1,4-dione | Tetrahydroxyquinone Hydrate | Tetroquinone Hydrate | NSC 112931 | THQ

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Product Application：

Effector of xanthine oxidase.

Specifications

Sinónimos

2, 3, 5, 6-tetrahydroxycyclohexa-2, 5-diene-1, 4-dione | Tetrahydroxy-1, 4-benzoquinone | 2, 3, 5, 6-Tetrahydroxy-2, 5-cyclohexadiene-1, 4-dione | Tetrahydroxyquinone Hydrate | Tetroquinone Hydrate | NSC 112931 | THQ

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Tetrahydroxyquinone (Tetrahydroxy-1, 4-benzoquinone), a primitive anticataract agent, is a redox active benzoquinone. Tetrahydroxyquinone can take part in a redox cycle with semiquinone radicals, leading to the formation of reactive oxygen species (ROS).

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1(=C(C(=O)C(=C(C1=O)O)O)O)O
• IUPAC Name: 2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione
• InChIKey: DGQOCLATAPFASR-UHFFFAOYSA-N
• INCHI: 1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H
• Isómeros SMILES: C1(=C(C(=O)C(=C(C1=O)O)O)O)O
• CAS alternativo: 123334-16-7、
• PubChem CID: 5424
• Peso molecular: 172.1(anhy)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Quinones
              • Level8 Benzoquinones
                • Level9 P-benzoquinones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones - Quinones - Benzoquinones
• Direct Parent: P-benzoquinones
• Alternative Parents: Vinylogous acids Enediols Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-benzoquinone - Vinylogous acid - Enediol - Polyol - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
• 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

Objetivos asociados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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

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BLM Tchem Bloom syndrome protein (4248 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 370.6°C
• Punto de fusión (°C): 300°C
• Peso molecular: 172.090 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 172.001 Da
• Monoisotopic Mass: 172.001 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 272.000
• 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. Leiqian Zhang, Lingfeng Ge, Guanjie He, Zhihong Tian, Jiajia Huang, Jingtao Wang, Dan J.L. Brett, Johan Hofkens, Feili Lai, Tianxi Liu.  (2021)  Tuning the Linkers in Polymer-Based Cathodes to Realize High Sulfur Content and High-Performance Potassium–Sulfur Batteries.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.1c05283]