Xanthine - UltraBio™, ≥99% , CAS No.69-89-6

CAS: 69-89-6 Cat. No.: X755591 Summenformel: C₅H₄N₄O₂ Molekulargewicht: 152.11 Beilstein Registry Number: 8733 EG-Nummer: 200-718-6

GRADE & PURITY UltraBio™, ≥99%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Übersicht

Xanthine is a purine that can be produced in the purine metabolic pathway via different precursors:

• Guanine deamination by guanine deaminase
• Hypoxanthine conversion by xanthine oxidoreductase

Xanthine or its derivatives are naturally present in animal organs, yeast, potatoes, coffee beans, and tea.

Application:

Xanthine has been used as a substrate for the determination of xanthine oxidase (XOD) inhibitory activity. It has also been used in the following systems:

• yeast culture
• human cell line culture
• recombinant viruses cloned as bacterial artificial chromosomes in Escherichia coli

Specifications

Spezifikationen & Reinheit

UltraBio™, ≥99%

Biochemische und physiologische Mechanismen

Xanthine and xanthine oxidase are used to generate superoxide radicals to measure the activity of superoxide dismutase.

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

UltraBio™

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

528776687

Kanonisches Lächeln

C1=NC2=C(N1)C(=O)NC(=O)N2

IUPAC Name

3,7-dihydropurine-2,6-dione

InChIKey

LRFVTYWOQMYALW-UHFFFAOYSA-N

INCHI

1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

Isomere SMILES

C1=NC2=C(N1)C(=O)NC(=O)N2

WGK Deutschland

3

RTECS

ZD7700000

Molekulargewicht

152.11

Beilstein

8733

Reaxy-Rn

609330

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: 6-oxopurines Alkaloids and derivatives Pyrimidones Vinylogous amides Imidazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• External Descriptors: a small molecule

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

Chemische und physikalische Eigenschaften

• Löslichkeit: 1 M NaOH: 0.1 M, clear, colorless to light yellow
• Empfindlichkeit: light sensitive
• Schmelzpunkt (°C): 379℃
• Molekulargewicht: 152.110 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.033 Da
• Monoisotopic Mass: 152.033 Da
• Topological Polar Surface Area: 86.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 217.000
• 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