5-Nitro-4-hydroxyquinazoline
CAS No.:
99768-67-9
M. Wt:
191.144
M. Fa:
C8H5N3O3
InChI Key:
AGOKBMXSQJZEKF-UHFFFAOYSA-N
Appearance:
Pale-yellow Solid
Names and Identifiers of 5-Nitro-4-hydroxyquinazoline
CAS Number |
99768-67-9 |
|---|---|
EC Number |
852-045-8 |
MDL Number |
MFCD12198902 |
IUPAC Name |
5-nitro-3H-quinazolin-4-one |
InChI |
InChI=1S/C8H5N3O3/c12-8-7-5(9-4-10-8)2-1-3-6(7)11(13)14/h1-4H,(H,9,10,12) |
InChIKey |
AGOKBMXSQJZEKF-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC=N2 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 5-Nitro-4-hydroxyquinazoline
Acidity coefficient |
-0.50±0.20(Predicted) |
|---|---|
Boiling Point |
414.5±30.0 °C at 760 mmHg |
Density |
1.64±0.1 g/cm3 |
Exact Mass |
191.033096 |
Flash Point |
204.5±24.6 °C |
Index of Refraction |
1.744 |
LogP |
0.03 |
Melting Point |
252-256 ºC (water ) |
Molecular Formula |
C8H5N3O3 |
Molecular Weight |
191.144 |
PSA |
91.83000 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±1.0 mmHg at 25°C |
Water Solubility |
Practically insoluble (0.052 g/L) (25 ºC) |
Safety Information of 5-Nitro-4-hydroxyquinazoline
Applications of 5-Nitro-4-hydroxyquinazoline
The applications of 5-nitro-4-hydroxyquinazoline are diverse, including:
- Pharmaceutical Development: Its derivatives are explored for potential use in drug formulation targeting infections and tumors.
- Chemical Research: It serves as a precursor for synthesizing more complex organic molecules in research laboratories.
- Biochemical Studies: Used in assays to study enzyme activity or as a probe in biological systems.
These applications underscore its relevance in both industrial and academic settings.
Interaction Studies of 5-Nitro-4-hydroxyquinazoline
Interaction studies involving 5-nitro-4-hydroxyquinazoline focus on its binding affinity with various biological targets. These studies help elucidate:
- Mechanisms of Action: Understanding how this compound interacts with enzymes or receptors can inform drug design.
- Synergistic Effects: Investigating combinations with other compounds may reveal enhanced therapeutic effects or reduced side effects.
Such studies are crucial for advancing its application in medicinal chemistry.
Biological Activity of 5-Nitro-4-hydroxyquinazoline
Research indicates that 5-nitro-4-hydroxyquinazoline exhibits notable biological activities. It has been investigated for:
- Antimicrobial Properties: Compounds within the quinazoline family often show activity against various bacterial strains.
- Antitumor Activity: Some studies suggest that derivatives of this compound may inhibit cancer cell proliferation.
- Enzyme Inhibition: It may act as an inhibitor for certain enzymes, contributing to its potential therapeutic effects.
The specific mechanisms of action and efficacy in vivo require further investigation to fully understand its biological potential.
Physical sample testing spectrum (NMR) of 5-Nitro-4-hydroxyquinazoline
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