structure of 6-Bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid

6-Bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid

CAS No.: 1000845-67-9
M. Wt: 255.06800
M. Fa: C9H7BrN2O2
InChI Key: SPBREWWYKGHQBZ-UHFFFAOYSA-N

Names and Identifiers of 1000845-67-9

CAS Number

1000845-67-9

MDL Number

MFCD19105313

IUPAC Name

6-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid

InChI

InChI=1S/C9H7BrN2O2/c1-5-6(10)2-3-8-11-7(9(13)14)4-12(5)8/h2-4H,1H3,(H,13,14)

InChIKey

SPBREWWYKGHQBZ-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=CC2=NC(=CN12)C(=O)O)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000845-67-9

Acidity coefficient

-4.72±0.41(Predicted)

Density

1.79±0.1 g/cm3(Predicted)

Exact Mass

253.96900

H Bond Acceptors

3

H Bond Donors

1

LogP

2.10340

Molecular Formula

C9H7BrN2O2

Molecular Weight

255.06800

PSA

54.60000

Safety Information of 1000845-67-9

Pictograms

Signal Word

 Warning

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

Applications of 1000845-67-9

6-Bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid has potential applications in several fields:

  • Pharmaceutical Development: As a lead compound in drug discovery targeting microbial infections or cancer therapies.
  • Chemical Research: Serving as an intermediate in synthesizing more complex organic molecules.
  • Biochemical Studies: Utilized in research to understand enzyme mechanisms and metabolic pathways due to its inhibitory properties.

Interaction Studies of 1000845-67-9

Interaction studies involving 6-Bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid have focused on its binding affinity with various biological targets. These studies aim to elucidate:

  • Protein-Ligand Interactions: Understanding how this compound interacts with specific proteins can help identify its mechanism of action.
  • Metabolic Pathway Analysis: Investigating how this compound affects metabolic pathways can provide insights into its biological effects and therapeutic potential.

Such studies are crucial for advancing knowledge in medicinal chemistry and pharmacology related to this compound.

Biological Activity of 1000845-67-9

Research indicates that 6-Bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid may possess various biological activities. It has been studied for its potential role in:

  • Antimicrobial Activity: Exhibiting inhibitory effects against certain bacterial strains.
  • Anticancer Properties: Preliminary studies suggest it may induce apoptosis in cancer cells, although further research is needed to confirm these effects.
  • Enzyme Inhibition: It may act as an inhibitor for specific enzymes involved in metabolic pathways, which could be useful in drug development.

Retrosynthesis analysis of 1000845-67-9

  • Route#1

    Cas:859787-40-9
    Cas:1000845-67-9