Allopurinol sodium - ≥98% , CAS No.17795-21-0

CAS: 17795-21-0 Cat. No.: A274893 Molecular Weight: 159.1

GRADE & PURITY ≥98%

Synonyms

1H-Pyrazolo(3,4-d)pyrimidin-4-ol, monosodium salt | AKOS015899245 | 1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-one, monosodium salt | 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-, sodium salt (1:1) | 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one,monosod

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

1H-Pyrazolo(3, 4-d)pyrimidin-4-ol, monosodium salt | AKOS015899245 | 1, 5-Dihydro-4H-pyrazolo(3, 4-d)pyrimidin-4-one, monosodium salt | 4H-Pyrazolo[3, 4-d]pyrimidin-4-one, 1, 5-dihydro-, sodium salt (1:1) | 1, 5-dihydro-4H-pyrazolo[3, 4-d]pyrimidin-4-one, monosod

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Xanthine oxidase inhibitor (IC 50 = 7.8 μM). Hypoxanthine structural isomer. Lowers serum uric acid levels. Shows antihyperuricemic, anti-ischemic and neuroprotective effects in vivo.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

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. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769464
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769464
• Canonical Smiles: C1=NNC2=C1C(=NC=N2)[O-].[Na+]
• IUPAC Name: sodium;1H-pyrazolo[3,4-d]pyrimidin-4-olate
• InChIKey: PTJRZVJXXNYNLN-UHFFFAOYSA-M
• INCHI: 1S/C5H4N4O.Na/c10-5-3-1-8-9-4(3)6-2-7-5;/h1-2H,(H2,6,7,8,9,10);/q;+1/p-1
• Isomeric SMILES: C1=NNC2=C1C(=NC=N2)[O-].[Na+]
• Molecular Weight: 159.1
• Reaxy-Rn: 6022625
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6022625&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolopyrimidines
      • Subclass Pyrazolo[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrazolopyrimidines
• Subclass: Pyrazolo[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[3,4-d]pyrimidines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Pyrazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[3,4-d]pyrimidine - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Organic alkali metal salt - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water to 100 mM, in ethanol to 10 mM and in DMSO to 100 mM
• Molecular Weight: 158.090 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 158.02 Da
• Monoisotopic Mass: 158.02 Da
• Topological Polar Surface Area: 77.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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

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