HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N,3,4-Trihydroxybenzamide
Didox · dido · NSC-324360 · Didox, NSC-324360 · Didox Exclusive · Didox, 10 mM in DMSO · 4-Trihydroxybenzamide · N,3,4-trihydroxybenzamide
Identifikatoren & physikalische Daten
| CAS No. | 69839-83-4 |
|---|---|
| Summenformel | C7H7NO4 |
| Durchschnittliche Molmasse | 169,13 g/mol |
| Monoisotopische Masse | 169,0375077 g/mol |
| SMILES | O=C(NO)c1ccc(O)c(O)c1 |
| InChIKey | QJMCKEPOKRERLN-UHFFFAOYSA-N |
| PubChem CID | 3045 |
| ChEMBL | CHEMBL367788 |
| ChEBI | CHEBI:184074 |
| DTXSID | DTXSID90220134 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 89,8 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 173 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 207 °C |
| Dichte | 1.571±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | DMSO:60.0(Max Conc. mg/mL)354.76(Max Conc. mM)DMF:20.0(Max Conc. mg/mL)118.25(Max Conc. mM)Ethanol:20.0(Max Conc. mg/mL)118.25(Max Conc. mM)PBS (pH 7.2):10.0(Max Conc. mg/mL)59.13(Max Conc. mM) |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 8.16±0.20(Predicted) |
| Farbe | Light yellow to khaki |
| InChI | InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11) |
| InChIKey | QJMCKEPOKRERLN-UHFFFAOYSA-N |
| SMILES | C(NO)(=O)C1=CC=C(O)C(O)=C1 |
Sicherheit & Vorschriften
| Toxizität | LD10 unreported in mouse: 643mg/kg |
|---|
Anwendungen & Verwendung
Beschreibung
Polyhydroxylated aromatic compounds, both natural and synthetic, are important biological antioxidants. Didox is a simple, synthetic antioxidant that has been found to reduce the levels of oxidative injury markers in the brains of HIV patients with dementia. It also increases the radiosensitivity of cancer cells by inhibition of ribonucleotide reductase, resulting in a reduction of bcl-2 mediated resistance to apoptosis.
Verwenden
Didox is a synthetic antioxidant that reduces oxidative injury levels.