6-Azauracil - ≥99% , CAS No.461-89-2

CAS: 461-89-2 Cat. No.: A124269 Molecular Weight: 113.07 Beilstein Registry Number: 116472 EC Number: 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

Overview

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

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

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488184074
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184074
• Canonical Smiles: 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)
• Isomeric SMILES: C1=NNC(=O)NC1=O
• WGK Germany: 3
• RTECS: XY7700000
• Molecular Weight: 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
    • Class Triazines
      • Subclass 1,2,4-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(non-human)

Proteus vulgaris (5823 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Staphylococcus epidermidis (22802 Activities)

Explore this target

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

Bordetella bronchiseptica (483 Activities)

Explore this target

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

Bacillus subtilis (32866 Activities)

Explore this target

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

Bacillus cereus (7522 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (partly), ethanol, DMSO, and 1 M NH4OH (50 mg/ml).
• Melt Point(°C): 274-282°C
• Molecular Weight: 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