Alloxan monohydrate - ≥98% , CAS No.2244-11-3

CAS: 2244-11-3 Cat. No.: A109024 분자식: C₄H₂N₂O₄ · H₂O 분자량: 160.08 Beilstein Registry Number: 4573597 EC 번호: 607-078-0

GRADE & PURITY ≥98%

Synonyms

1,3-diazinane-2,4,5,6-tetrone hydrate | Alloxan monohydrate, 98% | Pyrimidine-2,4,5,6(1H,3H)-tetraone monohydrate | SB57531 | Alloxan (hydrate) | 5,6-Dioxyuracil | J-200193 | SCHEMBL344222 | DS-4661 | Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate | AKOS00012

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

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

Specifications

동의어

1,3-diazinane-2,4,5,6-tetrone hydrate | Alloxan monohydrate, 98% | Pyrimidine-2,4,5,6(1H,3H)-tetraone monohydrate | SB57531 | Alloxan (hydrate) | 5,6-Dioxyuracil | J-200193 | SCHEMBL344222 | DS-4661 | Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate | AKOS00012

사양 및 순도

≥98%

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 2-8°C,Argon charged

배송

Wet ice

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참고

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.

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488182289
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182289
• 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

• 용해성: Soluble in water (50 g/L), ethanol, acetone, glacial acetic acid, methanol, and Slightly soluble in chloroform, petroleum ether, toluene, ethyl acetate and acetic anhydride. Insoluble in ether.
• 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