Alloxan monohydrate - 10mM in DMSO , CAS No.2244-11-3

CAS: 2244-11-3 Cat. No.: A422700 Formule: C₄H₂N₂O₄ · H₂O Poids moléculaire: 160.08 Beilstein Registry Number: 4573597 Numéro CE: 607-078-0

GRADE & PURITY 10mM in DMSO

Synonyms

2244-11-3|Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate|Alloxan, monohydrate|2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate|Alloxan (hydrate)|5,6-Dioxyuracil|1,3-diazinane-2,4,5,6-tetrone hydrate|2,4,5,6-Tetraoxohexahydropyrimidine hydrate|Alloxan monohydrate

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

A cytotoxic compound that causes oxidative base damage to nuclear DNA.

Specifications

Synonymes

2244-11-3 | Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate | Alloxan, monohydrate | 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate | Alloxan (hydrate) | 5,6-Dioxyuracil | 1,3-diazinane-2,4,5,6-tetrone hydrate | 2,4,5,6-Tetraoxohexahydropyrimidine hydrate | Alloxan monohydrate

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

Alloxan monohydrate is a hydrated form of Alloxan, which has been shown to destroy β cells. Alloxan is also used in research models to induce diabetes.Pyrimidine derivative. Glucose analog. Selectively cytotoxic to β-cells. Induces oxidative base damage t

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Sourires canoniques

C1(=O)C(=O)NC(=O)NC1=O.O

IUPAC Name

1,3-diazinane-2,4,5,6-tetrone;hydrate

InChIKey

DSXMTJRUNLATRP-UHFFFAOYSA-N

INCHI

1S/C4H2N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9;/h(H2,5,6,8,9,10);1H2

Isomères SMILES

C1(=O)C(=O)NC(=O)NC1=O.O

WGK Allemagne

3

RTECS

UW0492000

Poids moléculaire

160.08

Beilstein

4573597

Reaxy-Rn

5309394

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5309394&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidones
          • Level6 Barbituric acid derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidones
• Direct Parent: Barbituric acid derivatives
• 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: Barbiturate - Ureide - N-acyl urea - 1,3-diazinane - Dicarboximide - Ketone - Cyclic ketone - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
• 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

Propriétés chimiques et physiques

• Sensibilité: Heat & Air sensitive.
• Point de fusion (°C): 255 °C
• Poids moléculaire: 160.090 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 160.012 Da
• Monoisotopic Mass: 160.012 Da
• Topological Polar Surface Area: 93.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 222.000
• 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: 2

XLogP3