6-Bromo-7-methyl-1H-indole
CAS No.:
1000343-89-4
M. Wt:
210.070
M. Fa:
C9H8BrN
InChI Key:
KQNXKBLDFQVFQD-UHFFFAOYSA-N
Appearance:
Off white solid
Names and Identifiers of 6-Bromo-7-methyl-1H-indole
CAS Number |
1000343-89-4 |
|---|---|
EC Number |
682-900-9 |
MDL Number |
MFCD09027015 |
IUPAC Name |
6-bromo-7-methyl-1H-indole |
InChI |
InChI=1S/C9H8BrN/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2-5,11H,1H3 |
InChIKey |
KQNXKBLDFQVFQD-UHFFFAOYSA-N |
Canonical SMILES |
CC1=C(C=CC2=C1NC=C2)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 6-Bromo-7-methyl-1H-indole
Acidity coefficient |
16.37±0.30(Predicted) |
|---|---|
Boiling Point |
321.6±22.0 °C at 760 mmHg |
Density |
1.6±0.1 g/cm3 |
Exact Mass |
208.984009 |
Flash Point |
148.3±22.3 °C |
Index of Refraction |
1.685 |
LogP |
3.37 |
Melting Point |
110-116 °C |
Molecular Formula |
C9H8BrN |
Molecular Weight |
210.070 |
PSA |
15.79000 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±0.7 mmHg at 25°C |
Safety Information of 6-Bromo-7-methyl-1H-indole
Applications of 6-Bromo-7-methyl-1H-indole
6-Bromo-7-methyl-1H-indole has several applications in different fields:
- Pharmaceutical Development: As a building block in the synthesis of biologically active compounds, it plays a role in drug discovery and development.
- Material Science: Its derivatives are explored for use in organic electronics and photonic materials due to their unique electronic properties.
Interaction Studies of 6-Bromo-7-methyl-1H-indole
Research on the interactions of 6-bromo-7-methyl-1H-indole with biological targets has revealed insights into its mechanism of action:
- Enzyme Inhibition Studies: Investigations into its inhibitory effects on cystathionine γ-synthase have shown that it can modulate metabolic pathways in bacteria.
- Binding Affinity Studies: Studies using molecular docking techniques have indicated potential binding sites on target proteins, which can lead to the development of more potent derivatives.
Biological Activity of 6-Bromo-7-methyl-1H-indole
6-Bromo-7-methyl-1H-indole exhibits notable biological activities, particularly in medicinal chemistry. It has been studied for its potential as an inhibitor of various enzymes and receptors, including:
- Antimicrobial Activity: Certain derivatives of indoles, including 6-bromo-7-methyl-1H-indole, have shown effectiveness against bacterial strains by inhibiting cystathionine γ-synthase, which is crucial for bacterial metabolism.
- Anticancer Properties: Some studies suggest that indole derivatives can induce apoptosis in cancer cells, making them candidates for anticancer drug development.
Physical sample testing spectrum (NMR) of 6-Bromo-7-methyl-1H-indole
