GRADE & PURITY ≥98%

Synonyms

A827793 | Isobarbituric acid (VAN) | 438WJI1S49 | AKOS006223247 | FLUOROURACIL IMPURITY B [EP IMPURITY] | DTXSID40964293 | 2,6-Dihydroxypyrimidin-5(4H)-one | SCHEMBL2491820 | 1,3-diazinane-2,4,5-trione | Dihydropyrimidine-2,4,5(3H)-trione | NSC 95958 | 2,

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Application

2,4,5-Trihydroxypyrimidine studies show that it can form stable base pairs with all four bases in a DNA duplex. It has been used as oxidative DNA damage biomarker in tissue engineered skin. It acts as an antagonist of uracil in the growth of Lactobacillus casei.

Specifications

Sinónimos

A827793 | Isobarbituric acid (VAN) | 438WJI1S49 | AKOS006223247 | FLUOROURACIL IMPURITY B [EP IMPURITY] | DTXSID40964293 | 2, 6-Dihydroxypyrimidin-5(4H)-one | SCHEMBL2491820 | 1, 3-diazinane-2, 4, 5-trione | Dihydropyrimidine-2, 4, 5(3H)-trione | NSC 95958 | 2,

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

5-hydroxy derivative of the nucleobase Uracil and an isomer of Barbituric Acid. Studies show that it can form stable base pairs with all four bases in a DNA duplex. Used as an oxidative DNA damage biomarker.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504756347
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756347
• Sonrisas canónicas: C1C(=O)C(=O)NC(=O)N1
• IUPAC Name: 1,3-diazinane-2,4,5-trione
• InChIKey: FQXOOGHQVPKHPG-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1H2,(H2,5,6,8,9)
• Isómeros SMILES: C1C(=O)C(=O)NC(=O)N1
• Peso molecular: 128.09
• Reaxy-Rn: 879547
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879547&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: N-acyl ureas Diazinanes Dicarboximides Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acyl urea - Pyrimidone - Ureide - 1,3-diazinane - Dicarboximide - Ketone - Carbonic acid derivative - Urea - Cyclic ketone - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (Sparingly), Methanol (Sparingly)
• Punto de fusión (°C): >300°
• Peso molecular: 128.090 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.022 Da
• Monoisotopic Mass: 128.022 Da
• Topological Polar Surface Area: 75.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 186.000
• 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