Oxipurinol
Oxypurinol
Grundinformationen
- CAS
2465-59-0- Standard-SMILES
O=c1[nH]c(=O)c2cn[nH]c2[nH]1- InChIKey
HXNFUBHNUDHIGC-UHFFFAOYSA-N- Summenformel
- C5H4N4O2
- Durchschnittliche Molmasse
- 152,11 g/mol
- Monoisotopische Masse
- 152,03342538
Überblick
Alloxanthine is a pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor and a drug metabolite.
Namen und Bezeichner
- Bevorzugter Name
- Oxypurinol
- IUPAC
- 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
- Lokaler Name
- Oxipurinol
- Englischer Name
- Oxipurinol
- Summenformel
- C5H4N4O2
- Molmasse
- 152.11
Namen und Synonyme
Oxypurinol2465-59-0Oxipurinol1H-Pyrazolo[3,4-d]pyrimidine-4,6-diolAlloxanthineOxoallopurinolDHPP1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dioneNSC-76239OssipurinoloOxipurinolumDTXSID4035209
Weitere Namen anzeigen
OxyprimBW-55-5Oxipurino1,7-Dihydro-Allopurinol Impurity5
CHEBI:283151H-Pyrazolo(3,4-d)pyrimidine-4,6-diolG97OZE50681,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione1H-Pyrazolo(3,4-d)pyrimidine,4,6(5H,7H)-dione1H-PYRAZOLO(3,4-D)PYRIMIDINE-4,6(5H,7H)-DIONEDTXCID20152091,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
Datenbank-Bezeichner
- CAS
2465-59-0- PubChem CID
- 135398752
- DTXSID
DTXSID4035209- ChEMBL
CHEMBL859- ChEBI
CHEBI:28315- UNII
- G97OZE5068
- EC Number
- 219-570-9
- Nikkaji
- J9.510I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,9
- Polarare Oberfläche (TPSA)
- 86,9 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 217
Experimentelle und physikochemische Eigenschaften
Drugs
Pharmaceuticals -> Metabolite of Allopurinol
Pharmaceuticals -> Listed in ZINC15
Melting Point300 °C
Physical DescriptionSolid
Collision Cross Section
122.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4035209]
126.7 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · 300 °C
- Siedepunkt
- 274.55 °C · 274.55°C (rough estimate)
- Dichte
- 1.637 · 1.637
- Brechungsindex
- 1.85 · 1.8500 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in DMSO.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29335990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
Oxypurinol inhibits the enzyme xanthine oxidase, blocking the conversion of the oxypurines hypoxanthine and xanthine to uric acid. Elevated concentrations of oxypurine and oxypurine inhibition of xanthine oxidase through negative feedback results in a decrease in the concentrations of uric acid in the blood and urine. Oxypurinol also facilitates the incorporation of hypoxanthine and xanthine into DNA and RNA, resulting in further reductions of serum uric acid concentrations.
Biological Half-Life23.3 +/- 6.0 hours
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Cellular LocationsCytoplasm
Anwendungen
VerwendenA metabolite of Allopurinol.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
1
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