6-Azauracil - ≥99% , CAS No.461-89-2

CAS: 461-89-2 Cat. No.: A124269 Peso molecular: 113.07 Beilstein Registry Number: 116472 Número EC: 207-318-0

GRADE & PURITY ≥99%

Synonyms

2H-1,2,4-triazine-3,5-dione | 3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine | 4(6)-Azauracil | AKOS022061544 | 3-hydroxy-1,2,4-triazin-5(4H)-one | AM83920 | MFCD00006456 | 3,5-Dioxo-[1,2,4]triazine | USAF CB-30 | EINECS 207-318-0 | AKOS002303248 | SY031517

Storage

Room temperature

Shipped In

Normal

Descripción general

6-Azauracil is used as a growth inhibitor of various microorganisms via depletion of intracellular GTP and UTP nucleotide pools. 6-Azauracil has been widely used in investigations on modulation of transcription, especially in yeast models.
A growth inhibitor of various microorganisms

Specifications

Sinónimos

2H-1,2,4-triazine-3,5-dione | 3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine | 4(6)-Azauracil | AKOS022061544 | 3-hydroxy-1,2,4-triazin-5(4H)-one | AM83920 | MFCD00006456 | 3,5-Dioxo-[1,2,4]triazine | USAF CB-30 | EINECS 207-318-0 | AKOS002303248 | SY031517

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488184074
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184074
• Sonrisas canónicas: C1=NNC(=O)NC1=O
• IUPAC Name: 2H-1,2,4-triazine-3,5-dione
• InChIKey: SSPYSWLZOPCOLO-UHFFFAOYSA-N
• INCHI: 1S/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)
• Isómeros SMILES: C1=NNC(=O)NC1=O
• WGK Alemania: 3
• RTECS: XY7700000
• Peso molecular: 113.07
• Beilstein: 116472
• Reaxy-Rn: 116472
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116472&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazines
      • Subclass 1,2,4-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazines
• Subclass: 1,2,4-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-triazines
• Alternative Parents: Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,4-triazine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2,4-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4.
• External Descriptors: 1,2,4-triazines

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 (no humanos)

Proteus vulgaris (5823 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Bordetella bronchiseptica (483 Activities)

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Bacillus subtilis (32866 Activities)

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Bacillus cereus (7522 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly), ethanol, DMSO, and 1 M NH4OH (50 mg/ml).
• Punto de fusión (°C): 274-282°C
• Peso molecular: 113.080 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 113.023 Da
• Monoisotopic Mass: 113.023 Da
• Topological Polar Surface Area: 70.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 162.000
• 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