2-Amino-8-hydroxy-1H-purin-6(7H)-one - Moligand™,≥98% , CAS No.5614-64-2

CAS: 5614-64-2 Cat. No.: H1073793 Molecular Weight: 167.13 EC Number: 227-035-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

8-Hydroxyguanine | 2-Amino-7,9-Dihydro-3H-Purine-6,8-Quinone

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

8-Hydroxyguanine is a DNA damage product under oxidative stress, which is formed when hydroxyl radicals attack guanine in DNA. 8-Hydroxyguanine induces mutagenesis and leads to a transversion from G to T. 8-Hydroxyguanine is a marker of DNA oxidative damage.

Specifications

Synonyms

8-Hydroxyguanine | 2-Amino-7, 9-Dihydro-3H-Purine-6, 8-Quinone

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C12=C(NC(=O)N1)N=C(NC2=O)N
• IUPAC Name: 2-amino-7,9-dihydro-1H-purine-6,8-dione
• InChIKey: CLGFIVUFZRGQRP-UHFFFAOYSA-N
• INCHI: 1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
• Isomeric SMILES: C12=C(NC(=O)N1)N=C(NC2=O)N
• Alternate CAS: 5614-64-2；1246818-54-1
• NSC Number: 22720
• MeSH Entry Terms: 2-amino-6,8-dihydroxypurine;8-hydroxyguanine;8-oxo-7,8-dihydroguanine;8-oxoguanine;oxo-8-Gua
• Molecular Weight: 167.13

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Hydroxypyrimidines Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Hydroxypyrimidine - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
• External Descriptors: an aromatic compound

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

Chemical and Physical Properties

• Solubility: DMSO；H2O
• Sensitivity: Light sensitive
• Molecular Weight: 167.130 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 167.044 Da
• Monoisotopic Mass: 167.044 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 342.000
• 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