4-BROMO-6-ISOPROPYL (1H)INDAZOLE
CAS No.:
1000343-77-0
M. Wt:
239.112
M. Fa:
C10H11BrN2
InChI Key:
-
Names and Identifiers of 4-BROMO-6-ISOPROPYL (1H)INDAZOLE
CAS Number |
1000343-77-0 |
|---|---|
IUPAC Name |
4-bromanyl-6-propan-2-yl-1H-indazole |
Canonical SMILES |
CC(C)C1=CC2=C(C=NN2)C(=C1)Br |
Physical and chemical properties of 4-BROMO-6-ISOPROPYL (1H)INDAZOLE
Acidity coefficient |
13.15±0.40(Predicted) |
|---|---|
Boiling Point |
349.7±22.0 °C at 760 mmHg |
Density |
1.5±0.1 g/cm3 |
Exact Mass |
238.010559 |
Flash Point |
165.3±22.3 °C |
Index of Refraction |
1.645 |
LogP |
3.93 |
Molecular Formula |
C10H11BrN2 |
Molecular Weight |
239.112 |
PSA |
28.68000 |
Vapour Pressure |
0.0±0.7 mmHg at 25°C |
Applications of 4-BROMO-6-ISOPROPYL (1H)INDAZOLE
4-Bromo-6-isopropyl-1H-indazole has potential applications in various fields:
- Pharmaceutical Development: Due to its biological activity, it may serve as a lead compound in drug discovery programs targeting infectious diseases or cancer.
- Chemical Research: The compound can be used as a building block in organic synthesis for developing more complex chemical entities.
- Material Science: Its unique properties may find applications in creating novel materials or polymers.
Interaction Studies of 4-BROMO-6-ISOPROPYL (1H)INDAZOLE
Interaction studies involving 4-bromo-6-isopropyl-1H-indazole focus on its binding affinities and effects on biological targets. Key findings include:
- Receptor Binding Studies: Investigations into its interaction with specific receptors have shown promising results, indicating potential therapeutic uses.
- Enzyme Inhibition Profiles: Studies have demonstrated its ability to inhibit certain enzymes involved in metabolic pathways, which could influence drug interactions and efficacy.
When comparing 4-bromo-6-isopropyl-1H-indazole with similar compounds, several noteworthy derivatives emerge:
| Compound Name | CAS Number | Key Features |
|---|---|---|
| 4-Bromo-1H-indazole | 885518-97-8 | Basic indazole structure |
| 4-Bromo-6-nitro-1H-indazole | 898746-96-8 | Nitro group substitution at position 6 |
| 4-Bromo-5-methyl-1H-indazole | 1346702-54-2 | Methyl group at position 5 |
| 4-Bromo-1H-indazole-6-carbonitrile | 898746-96-8 | Carbonitrile group at position 6 |
Biological Activity of 4-BROMO-6-ISOPROPYL (1H)INDAZOLE
Research indicates that 4-bromo-6-isopropyl-1H-indazole exhibits notable biological activities, including:
- Antimicrobial Properties: Studies suggest that it may possess antimicrobial effects against various bacterial strains.
- Anticancer Activity: Preliminary investigations have shown that this compound may inhibit cancer cell proliferation, making it a candidate for further pharmacological studies.
- CYP Enzyme Modulation: The compound has been identified as an inhibitor of certain cytochrome P450 enzymes, which play crucial roles in drug metabolism.