structure of 4-Bromo-3-iodo-1H-pyrrolo[2,3-B]pyridine

4-Bromo-3-iodo-1H-pyrrolo[2,3-B]pyridine

CAS No.: 1000340-34-0
M. Wt: 322.928
M. Fa: C7H4BrIN2
InChI Key: HBIIPYGVYOJSOV-UHFFFAOYSA-N
Appearance: Yellow Solid

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

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

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

Physical sample testing spectrum (NMR) of 1000340-34-0

Retrosynthesis analysis of 1000340-34-0

  • Route#1

    Cas:348640-06-2
    Cas:1000340-34-0