Methyl 2-aminooxazole-4-carboxylate
Names and Identifiers of Methyl 2-aminooxazole-4-carboxylate
CAS Number |
1000576-38-4 |
|---|---|
MDL Number |
MFCD09870069 |
IUPAC Name |
methyl 2-amino-1,3-oxazole-4-carboxylate |
InChI |
InChI=1S/C5H6N2O3/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3,(H2,6,7) |
InChIKey |
KVJXBXVLOSDXIK-UHFFFAOYSA-N |
Canonical SMILES |
COC(=O)C1=COC(=N1)N |
UNSPSC Code |
12352100 |
Physical and chemical properties of Methyl 2-aminooxazole-4-carboxylate
Acidity coefficient |
2.67±0.10(Predicted) |
|---|---|
Boiling Point |
273.4±32.0℃(Predicted) |
Density |
1.345±0.06 g/cm3(Predicted) |
Exact Mass |
142.03800 |
LogP |
0.62460 |
Molecular Formula |
C5H6N2O3 |
Molecular Weight |
142.11300 |
PSA |
78.35000 |
Safety Information of Methyl 2-aminooxazole-4-carboxylate
Applications of Methyl 2-aminooxazole-4-carboxylate
Methyl 2-amino-4-carboxylate serves as a versatile building block in organic synthesis. It is used in:
- Pharmaceutical Development: As a precursor for synthesizing biologically active compounds.
- Agricultural Chemistry: In the development of agrochemicals due to its antimicrobial properties.
- Material Science: As part of polymer formulations where thiazole derivatives are beneficial.
Interaction Studies of Methyl 2-aminooxazole-4-carboxylate
Interaction studies have shown that methyl 2-amino-4-carboxylate and its derivatives can bind to DNA structures, suggesting potential applications in cancer treatment through mechanisms that involve DNA interaction . The binding capacity often depends on the substituents on the thiazole ring and their spatial arrangement.
Biological Activity of Methyl 2-aminooxazole-4-carboxylate
Research indicates that methyl 2-amino-4-carboxylate exhibits moderate to significant antibacterial and antifungal activities. Its derivatives have shown potential as inhibitors against specific enzymes, such as UDP-N-acetylmuramate/l-alanine ligase, which is critical for bacterial cell wall biosynthesis . Additionally, compounds derived from methyl 2-amino-4-carboxylate have been explored for their anticancer properties, demonstrating cytotoxic effects against various cancer cell lines .
Physical sample testing spectrum (NMR) of Methyl 2-aminooxazole-4-carboxylate
Cas:7425-63-0
Cas:57-13-6
