4-Bromo-6-(trifluoromethyl)-1H-indole
Names and Identifiers of 4-Bromo-6-(trifluoromethyl)-1H-indole
CAS Number |
1000342-93-7 |
|---|---|
MDL Number |
MFCD09026955 |
IUPAC Name |
4-bromo-6-(trifluoromethyl)-1H-indole |
InChI |
InChI=1S/C9H5BrF3N/c10-7-3-5(9(11,12)13)4-8-6(7)1-2-14-8/h1-4,14H |
InChIKey |
GVQHXKQOACYLJU-UHFFFAOYSA-N |
Canonical SMILES |
C1=CNC2=C1C(=CC(=C2)C(F)(F)F)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-Bromo-6-(trifluoromethyl)-1H-indole
Acidity coefficient |
14.66±0.30(Predicted) |
|---|---|
Boiling Point |
298.1±35.0 °C at 760 mmHg |
Density |
1.7±0.1 g/cm3 |
Exact Mass |
262.955750 |
Flash Point |
134.1±25.9 °C |
Index of Refraction |
1.591 |
LogP |
3.18 |
Molecular Formula |
C9H5BrF3N |
Molecular Weight |
264.042 |
PSA |
15.79000 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±0.6 mmHg at 25°C |
Safety Information of 4-Bromo-6-(trifluoromethyl)-1H-indole
Applications of 4-Bromo-6-(trifluoromethyl)-1H-indole
4-Bromo-6-(trifluoromethyl)-1H-indole has diverse applications:
- Medicinal Chemistry: It serves as a scaffold for developing new pharmaceuticals targeting various diseases due to its biological activity.
- Material Science: The compound is used in creating new materials with unique properties, such as enhanced thermal stability and resistance to degradation.
- Biochemical Assays: It acts as a probe in biochemical assays to study biological pathways and mechanisms.
Interaction Studies of 4-Bromo-6-(trifluoromethyl)-1H-indole
Studies have shown that 4-Bromo-6-(trifluoromethyl)-1H-indole interacts with various biological targets, particularly enzymes involved in drug metabolism. Its inhibitory effect on CYP1A2 suggests potential implications for drug-drug interactions, highlighting the need for further research to understand its pharmacokinetic properties fully.
Biological Activity of 4-Bromo-6-(trifluoromethyl)-1H-indole
4-Bromo-6-(trifluoromethyl)-1H-indole exhibits significant biological activity, particularly in the context of drug discovery. It has been identified as a potential inhibitor of cytochrome P450 enzymes, notably CYP1A2, which plays a crucial role in drug metabolism. This property makes it valuable in pharmacological studies aimed at understanding drug interactions and metabolic pathways.
Physical sample testing spectrum (NMR) of 4-Bromo-6-(trifluoromethyl)-1H-indole
