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

CAS: 2244-11-3 Cat. No.: A422700 分子式: C₄H₂N₂O₄ · H₂O 分子量: 160.08 Beilstein Registry Number: 4573597 EC番号: 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

概要

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

Specifications

同義語

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

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

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

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

RTECS

UW0492000

分子量

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
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidones
          • Level6 Barbituric acid derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Heat & Air sensitive.
• 融点（°C）: 255 °C
• 分子量: 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