Grundinformationen
- CAS
461-89-2- Standard-SMILES
O=c1cn[nH]c(=O)[nH]1- InChIKey
SSPYSWLZOPCOLO-UHFFFAOYSA-N- Summenformel
- C3H3N3O2
- Durchschnittliche Molmasse
- 113,08 g/mol
- Monoisotopische Masse
- 113,02252634
Überblick
6-azauracil is a 1,2,4-triazine compound having oxo-substituents at the 3- and 5-positions. It has a role as an antimetabolite. It is a member of 1,2,4-triazines and a nucleobase analogue.
Namen und Bezeichner
- Bevorzugter Name
- 1,2,4-Triazine-3,5(2H,4H)-dione
- IUPAC
- 2H-1,2,4-triazine-3,5-dione
- Lokaler Name
- 1,2,4-Triazin-3,5-diol
- Englischer Name
- 6-Azauracil
- Summenformel
- C3H3N3O2
- Molmasse
- 113.07
Namen und Synonyme
6-Azauracil461-89-21,2,4-Triazine-3,5(2H,4H)-dioneAzauracil4(6)-Azauracilas-Triazine-3,5-diolas-Triazine-3,5(2H,4H)-dioneNSC-3425I14TWN70LRDTXSID2060042CHEBI:53745RefChem:104235
Weitere Namen anzeigen
AZU6-AUhHBPNAZCAZAMPnsc3425ipo3834
DTXCID4040474207-318-02H-1,2,4-triazine-3,5-dione1,2,4-Triazine-3,5-diol18802-37-41,2,4-Triazine-3,5-dioneUSAF CB-30IPO 3834
Datenbank-Bezeichner
- CAS
461-89-2- PubChem CID
- 68037
- DTXSID
DTXSID2060042- ChEMBL
CHEMBL2260276- ChEBI
CHEBI:53745- UNII
- I14TWN70LR
- EC Number
- 207-318-0
- Nikkaji
- J9.363G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 70,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 162
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP-1.37
Physikochemische Eigenschaften
- Schmelzpunkt
- 274 · 274-275 °C(lit.)
- Siedepunkt
- 211.75 °C · 211.75°C (rough estimate)
- Dichte
- 1.5988 · 1.5988 (rough estimate)
- Brechungsindex
- 1.4264 · 1.4264 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 1 M · 1 M NH4OH: 50mg/mL, clear to slightly hazy, colorless to light yellow-green
- pka
- 7.78 · 7.78±0.20(Predicted)
- Aggregatzustand
- Fine Crystalline Powder
- Farbe
- White to light yellow
- Wasserlöslichkeit
- 1 M · Partly soluble in water, ethanol, DMSO, and 1 M NH4OH (50 mg/ml).
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 (89.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (89.6%)
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29336980
- RTECS-Nr.
- XY7700000
- risk_code
- 36/37/38-63-25
- hazard_code
- Xi,T
- safety_code
- 26-36-45-38-36/37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationDrugs that are chemically similar to naturally occurring metabolites, but differ enough to interfere with normal metabolic pathways. (From AMA Drug Evaluations Annual, 1994, p2033)
Verwendung und Herstellung
General Manufacturing Information1,2,4-Triazine-3,5(2H,4H)-dione: ACTIVE
Anwendungen
Verwenden6-Azauracil (6-AU) is used as a growth inhibitor of various microorganisms via depletion of intracellular GTP and UTP nucleotide pools. 6-Azauracil has been widely used in investigations on modulation of transcription, especially in yeast models.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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