Uric acid - Moligand™, ≥99% , CAS No.69-93-2

CAS: 69-93-2 Cat. No.: U105582 Formula: C₅H₄N₄O₃ Molecular Weight: 168.11 Beilstein Registry Number: 156158 EC Number: 200-720-7

GRADE & PURITY Moligand™, ≥99%

Synonyms

2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione | 565FF3AF-8AFA-4EE9-9FC4-6B119784A5BB | Uric acid (8CI) | Idelalisib metabolite m54 | uric-acid | MFCD00005712 | STL185577 | 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- | 1H-Purine-2,6,8-triol | 2,8-Trioxopurine

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Application：

Uric acid has been used:
in inducing hyperuricemia in mice[；
as a component of digestion fluid for the simulation of in vitro human digestion model[；
in selectivity test of the glucose sensor in sweat-based diabetes monitoring .

Specifications

Synonyms

2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione | 565FF3AF-8AFA-4EE9-9FC4-6B119784A5BB | Uric acid (8CI) | Idelalisib metabolite m54 | uric-acid | MFCD00005712 | STL185577 | 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- | 1H-Purine-2,6,8-triol | 2,8-Trioxopurine

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Uric acid is an insoluble catabolite produced by adenine and guanine metabolism. Accumulation of uric acid leads to gout, hyperuricemia, arthritis and renal failure.Elevated uric acid levels contributes to hypertension and pathogenesis of cardiovascular d

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

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. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

Pubchem Sid

488179606

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179606

Canonical Smiles

C12=C(NC(=O)N1)NC(=O)NC2=O

IUPAC Name

7,9-dihydro-3H-purine-2,6,8-trione

InChIKey

LEHOTFFKMJEONL-UHFFFAOYSA-N

INCHI

1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

Isomeric SMILES

C12=C(NC(=O)N1)NC(=O)NC2=O

WGK Germany

3

Molecular Weight

168.11

Beilstein

156158

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: 6-oxopurines Alkaloids and derivatives Pyrimidones Vinylogous amides Imidazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• External Descriptors: uric acid

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

Associated Targets(Human)

GDA Tbio Guanine deaminase (19 Activities)

Discover Target: GDA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HL-60 (67320 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)

Discover Target: SLC22A8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC2A9 Tbio Solute carrier family 2, facilitated glucose transporter member 9 (15 Activities)

Discover Target: SLC2A9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Bos taurus (956 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slc22a6 Solute carrier family 22 member 6 (141 Activities)

Discover Target: Slc22a6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

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Liver microsome (341 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in 1M sodium hydroxide solution. Slightly soluble in water. Insoluble in ether and alcohol.
• Melt Point(°C): ＞300°C
• Molecular Weight: 168.110 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.028 Da
• Monoisotopic Mass: 168.028 Da
• Topological Polar Surface Area: 99.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 332.000
• 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: 1