structure of 1-(4-Bromo-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone

1-(4-Bromo-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone

CAS No.: 1000340-84-0
M. Wt: 239.069
M. Fa: C9H7BrN2O
InChI Key: KARPOIXRSDZYFY-UHFFFAOYSA-N

Names and Identifiers of 1000340-84-0

CAS Number

1000340-84-0

MDL Number

MFCD09027055

IUPAC Name

1-(4-bromopyrrolo[2,3-b]pyridin-1-yl)ethanone

InChI

InChI=1S/C9H7BrN2O/c1-6(13)12-5-3-7-8(10)2-4-11-9(7)12/h2-5H,1H3

InChIKey

KARPOIXRSDZYFY-UHFFFAOYSA-N

Canonical SMILES

CC(=O)N1C=CC2=C(C=CN=C21)Br

Physical and chemical properties of 1000340-84-0

Acidity coefficient

3.07±0.30(Predicted)

Boiling Point

332.6±22.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

237.974167

Flash Point

155.0±22.3 °C

H Bond Acceptors

2

H Bond Donors

0

Index of Refraction

1.671

LogP

1.49

Molecular Formula

C9H7BrN2O

Molecular Weight

239.069

PSA

34.89000

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1000340-84-0

Pictograms

Signal Word

 Warning

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

Applications of 1000340-84-0

This compound has several potential applications:

  • Pharmaceutical Development: Due to its kinase inhibition properties, it may serve as a lead compound in the development of new drugs targeting cancer and metabolic disorders.
  • Research Tool: It can be used in biochemical assays to study kinase signaling pathways and their roles in various diseases.
  • Chemical Probes: As a synthetic intermediate, it can facilitate the development of other biologically active compounds by serving as a building block for further modifications.

Interaction Studies of 1000340-84-0

Interaction studies have shown that 1-(4-Bromo-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone interacts with several biological targets:

  • Kinase Inhibition: Its primary interaction is with SGK-1 kinase; studies suggest that this interaction may lead to downstream effects on cell proliferation and survival pathways.
  • Binding Affinity: The binding affinity of this compound to various targets has been assessed using molecular docking studies, indicating its potential for selective inhibition of specific kinases over others.

Biological Activity of 1000340-84-0

1-(4-Bromo-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone has shown promise as an inhibitor of specific kinases, particularly SGK-1 kinase, which is implicated in various diseases. Its biological activity suggests potential therapeutic applications in oncology and other areas where kinase inhibition is beneficial. Studies indicate that modifications to the pyrrolo[2,3-b]pyridine structure can significantly influence its biological efficacy and selectivity.