Methyl 5-bromo-1H-indazole-6-carboxylate
CAS No.:
1000342-30-2
M. Wt:
255.068
M. Fa:
C9H7BrN2O2
InChI Key:
OMGXGABLIDYSNN-UHFFFAOYSA-N
Appearance:
Yellow Solid
Names and Identifiers of 1000342-30-2
CAS Number |
1000342-30-2 |
|---|---|
EC Number |
806-635-7 |
MDL Number |
MFCD09749941 |
IUPAC Name |
methyl 5-bromo-1H-indazole-6-carboxylate |
InChI |
InChI=1S/C9H7BrN2O2/c1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8/h2-4H,1H3,(H,11,12) |
InChIKey |
OMGXGABLIDYSNN-UHFFFAOYSA-N |
Canonical SMILES |
COC(=O)C1=C(C=C2C=NNC2=C1)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000342-30-2
Acidity coefficient |
11.17±0.40(Predicted) |
|---|---|
Boiling Point |
391.9±22.0 °C at 760 mmHg |
Density |
1.7±0.1 g/cm3 |
Exact Mass |
253.969086 |
Flash Point |
190.8±22.3 °C |
H Bond Acceptors |
2 |
H Bond Donors |
1 |
Index of Refraction |
1.676 |
LogP |
2.15 |
Melting Point |
148-153 °C |
Molecular Formula |
C9H7BrN2O2 |
Molecular Weight |
255.068 |
PSA |
54.98000 |
Storage condition |
Sealed in dry,Room Temperature |
Vapour Pressure |
0.0±0.9 mmHg at 25°C |
Safety Information of 1000342-30-2
Applications of 1000342-30-2
Methyl 5-bromo-1H-indazole-6-carboxylate finds utility in various fields:
- Pharmaceutical Research: Its derivatives are being explored for potential therapeutic applications, particularly in cancer treatment and antimicrobial formulations.
- Chemical Biology: It serves as a tool compound for studying biological pathways involving indazole derivatives.
- Material Science: The compound may also have applications in the development of new materials due to its unique chemical structure.
Interaction Studies of 1000342-30-2
Research into methyl 5-bromo-1H-indazole-6-carboxylate's interactions with biological systems is ongoing. Notable areas include:
- Drug Metabolism Studies: Investigations into how this compound affects cytochrome P450 enzymes provide insights into its pharmacokinetic properties and potential drug-drug interactions.
- Binding Studies: Studies assessing its binding affinity to various biological targets are crucial for understanding its mechanism of action and therapeutic potential.
Biological Activity of 1000342-30-2
Methyl 5-bromo-1H-indazole-6-carboxylate has shown potential biological activities, particularly in pharmacological research. It has been reported to exhibit:
- Antimicrobial Properties: Some studies suggest that derivatives of this compound possess activity against various bacterial strains.
- Inhibition of Enzymes: It has been identified as an inhibitor of certain cytochrome P450 enzymes, which play critical roles in drug metabolism.
- Potential Anticancer Activity: Preliminary research indicates that this compound may have cytotoxic effects on certain cancer cell lines, although further studies are needed to elucidate its mechanisms and efficacy.
Physical sample testing spectrum (NMR) of 1000342-30-2
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