N,3,4-Trihydroxybenzamide
Grundinformationen
- CAS
69839-83-4- Standard-SMILES
O=C(NO)c1ccc(O)c(O)c1- InChIKey
QJMCKEPOKRERLN-UHFFFAOYSA-N- Summenformel
- C7H7NO4
- Durchschnittliche Molmasse
- 169,13 g/mol
- Monoisotopische Masse
- 169,0375077
Überblick
N-3,4-tridhydroxybenzamide is a member of benzoic acids.
Namen und Bezeichner
- Bevorzugter Name
- N,3,4-Trihydroxybenzamide
- IUPAC
- N,3,4-trihydroxybenzamide
- Englischer Name
- dido
- Summenformel
- C7H7NO4
- Molmasse
- 169.13
Namen und Synonyme
Didox69839-83-4N,3,4-Trihydroxybenzamide3,4-Dihydroxybenzohydroxamic acidNSC-324360Benzamide, N,3,4-trihydroxy-NSC 324360DTXSID90220134L106XFV0RQNSC324360RefChem:133311DTXCID90142625
Weitere Namen anzeigen
didoDidox, NSC-324360Didox ExclusiveDidox, 10 mM in DMSO4-Trihydroxybenzamide
3,4,N-Trihydroxy-benzamideVF 1473,4-Dihydroxyphenylhydroxamic acidUNII-L106XFV0RQN-3,4-TridhydroxybenzamideMFCD01667810N-3,4-TRIDHYDROXY-BENZAMIDEDidox, >=98% (HPLC)
Datenbank-Bezeichner
- CAS
69839-83-4- PubChem CID
- 3045
- DTXSID
DTXSID90220134- ChEMBL
CHEMBL367788- ChEBI
CHEBI:184074- UNII
- L106XFV0RQ
- Nikkaji
- J487.155C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 89,8 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 173
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 207 °C · 207 °C
- Dichte
- 1.571 · 1.571±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- 60 · 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
- 8.16 · 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 und Regulatorisches
Sicherheitsdaten
- Toxizität
- LD10 unreported in mouse: 643mg/kg
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Anwendungen
BeschreibungPolyhydroxylated 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.
VerwendenDidox is a synthetic antioxidant that reduces oxidative injury levels.
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