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

CAS: 2244-11-3 Cat. No.: A422700 분자식: C₄H₂N₂O₄ · H₂O 분자량: 160.08 Beilstein Registry Number: 4573597 EC 번호: 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

개요

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

Specifications

동의어

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

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

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

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: C1(=O)C(=O)NC(=O)NC1=O.O
• WGK 독일: 3
• RTECS: UW0492000
• 분자량: 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
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidones
          • Level6 Barbituric acid derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Heat & Air sensitive.
• 녹는점(°C): 255 °C
• 분자량: 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

참고 문헌

1. Mengli Geng, Dandan Ma, Zhaojun Wang, Qiuming Chen, Maomao Zeng, Jie Chen, Benu Adhikari, Hongyang Pan, Zhiyong He.  (2026)  Enzymatically synthesized kaempferol fatty acid esters enhance glycolipid metabolism regulation and α-glucosidase inhibition.  FOOD RESEARCH INTERNATIONAL,      [PMID:] [10.1016/j.foodres.2026.118422]