Xanthine - Moligand™, ≥99.5%(HPLC) , CAS No.69-89-6

CAS: 69-89-6 Cat. No.: X104265 Formula: C5H4N4O2 Molecular Weight: 152.11 Beilstein Registry Number: 8733 EC Number: 200-718-6
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99.5%(HPLC)
Synonyms
1262670-81-4 | NSC_1188 | Z57825360 | 1AVZ07U9S7 | S3693 | 1H-Purine-2,6-diol | CHEBI:48517 | 1H-Purine-2,6(3H,7H)-dione | 2,6-dioxopurine | HMS1659G11 | AM83905 | MFCD00078453 | 3,7-dihydro-purine-2,6-dione | 3,7-dihydropurine-2,6-dione | 9H-Purine-2,3H)
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
★
Size
USA
Germany (EU)*
Price
Qty
5g
X104265-5g
3 In stock
—
$73.90
25g
X104265-25g
3 In stock
—
$206.90
100g
X104265-100g
3 In stock
—
$595.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥99.5%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 129 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1262670-81-4 | NSC_1188 | Z57825360 | 1AVZ07U9S7 | S3693 | 1H-Purine-2,6-diol | CHEBI:48517 | 1H-Purine-2,6(3H,7H)-dione | 2,6-dioxopurine | HMS1659G11 | AM83905 | MFCD00078453 | 3,7-dihydro-purine-2,6-dione | 3,7-dihydropurine-2,6-dione | 9H-Purine-2,3H)
Specifications & Purity
Moligand™, ≥99.5%(HPLC)
Biochemical and Physiological Mechanisms
Purine base. Intermediate in the degradation of adenosine monophosphate to uric acid, formed by oxidation of hypoxanthine.
Storage
Store at 2-8°C,Protected from light
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
≥99.5%(HPLC)
Names and Identifiers
Pubchem Sid504750477
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750477
Canonical SmilesC1=NC2=C(N1)C(=O)NC(=O)N2
IUPAC Name3,7-dihydropurine-2,6-dione
InChIKeyLRFVTYWOQMYALW-UHFFFAOYSA-N
INCHI1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
Isomeric SMILES C1=NC2=C(N1)C(=O)NC(=O)N2
WGK Germany 3
RTECS ZD7700000
Molecular Weight 152.11
Beilstein 8733
Reaxy-Rn 609330

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Not available
Direct ParentXanthines
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 FrameworkAromatic 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
DescriptionThis 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 a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
XDH Tclin Xanthine dehydrogenase (1038 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPRT1 Tchem Hypoxanthine-guanine phosphoribosyltransferase (369 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GDA Tbio Guanine deaminase (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE4A Tclin Phosphodiesterase 4 (3344 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
deoA Thymidine phosphorylase (531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Toxoplasma gondii (4585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ricin (144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

15 results found

Lot NumberCertificate TypeDateItem
J2227793Certificate of AnalysisAug 04, 2026 X104265
J2227795Certificate of AnalysisAug 04, 2026 X104265
J2211337Certificate of AnalysisJul 03, 2026 X104265
J2211338Certificate of AnalysisJul 03, 2026 X104265
A2629704Certificate of AnalysisJan 21, 2026 X104265
A2629705Certificate of AnalysisJan 21, 2026 X104265
A2629706Certificate of AnalysisJan 21, 2026 X104265
I2504123Certificate of AnalysisOct 11, 2022 X104265
J2227722Certificate of AnalysisOct 11, 2022 X104265
L2501085Certificate of AnalysisOct 11, 2022 X104265
A2506204Certificate of AnalysisSep 16, 2022 X104265
C2429055Certificate of AnalysisSep 16, 2022 X104265
E2522059Certificate of AnalysisSep 16, 2022 X104265
I2423665Certificate of AnalysisSep 16, 2022 X104265
J2211326Certificate of AnalysisSep 16, 2022 X104265
Chemical and Physical Properties
Melt Point(°C)379℃
Molecular Weight152.110 g/mol
XLogP3-0.700
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass152.033 Da
Monoisotopic Mass152.033 Da
Topological Polar Surface Area86.900 Ų
Heavy Atom Count11
Formal Charge0
Complexity217.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

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