4-Bromo-3-iodo-1H-pyrrolo[2,3-B]pyridine
Names and Identifiers of 1000340-34-0
CAS Number |
1000340-34-0 |
|---|---|
EC Number |
696-334-5 |
MDL Number |
MFCD09880123 |
IUPAC Name |
4-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine |
InChI |
InChI=1S/C7H4BrIN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11) |
InChIKey |
HBIIPYGVYOJSOV-UHFFFAOYSA-N |
Canonical SMILES |
C1=CN=C2C(=C1Br)C(=CN2)I |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000340-34-0
Boiling Point |
415.5±40.0 °C at 760 mmHg |
|---|---|
Density |
2.4±0.1 g/cm3 |
Exact Mass |
321.860229 |
Flash Point |
205.1±27.3 °C |
Index of Refraction |
1.804 |
LogP |
3.49 |
Molecular Formula |
C7H4BrIN2 |
Molecular Weight |
322.928 |
PSA |
28.68000 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±0.9 mmHg at 25°C |
Safety Information of 1000340-34-0
Applications of 1000340-34-0
4-Bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine serves as a key intermediate in pharmaceutical synthesis. Its unique structure makes it valuable for:
- Drug Development: It is a building block for synthesizing compounds with potential therapeutic effects against cancer and inflammatory diseases.
- Imaging Agents: Variants of this compound are being explored as radiolabeled agents for imaging specific receptors in vivo.
- Research Tools: Its derivatives are utilized in biological studies to elucidate mechanisms involving kinase signaling pathways and other cellular processes.
Interaction Studies of 1000340-34-0
Interaction studies involving 4-Bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine have focused on its binding affinities with various biological targets. For example:
- Kinase Inhibition: Studies have demonstrated that modifications to the core structure can significantly impact binding affinity and selectivity towards specific kinases.
- Receptor Binding: Research on similar compounds has revealed insights into how structural variations influence receptor interactions and downstream signaling pathways.
Biological Activity of 1000340-34-0
Research indicates that compounds containing the pyrrolo[2,3-b]pyridine scaffold exhibit significant biological activities. For instance, derivatives of this compound have shown potential as inhibitors of various kinases, including SGK-1 kinase, which is implicated in several diseases. Additionally, studies have explored its role in modulating phosphodiesterase activity, particularly PDE4B inhibitors that exhibit anti-inflammatory properties. The biological evaluation of related compounds suggests that modifications to the core structure can enhance potency and selectivity against specific biological targets.
Physical sample testing spectrum (NMR) of 1000340-34-0
