structure of 3-Bromo-5-methyl-1H-pyrrolo[3,2-b]pyridine

3-Bromo-5-methyl-1H-pyrrolo[3,2-b]pyridine

CAS No.: 1000343-73-6
M. Wt: 211.059
M. Fa: C8H7BrN2
InChI Key: NJQXOQOTBYHDTK-UHFFFAOYSA-N

Names and Identifiers of 1000343-73-6

CAS Number

1000343-73-6

MDL Number

MFCD09880092

IUPAC Name

3-bromo-5-methyl-1H-pyrrolo[3,2-b]pyridine

InChI

InChI=1S/C8H7BrN2/c1-5-2-3-7-8(11-5)6(9)4-10-7/h2-4,10H,1H3

InChIKey

NJQXOQOTBYHDTK-UHFFFAOYSA-N

Canonical SMILES

CC1=NC2=C(C=C1)NC=C2Br

UNSPSC Code

12352100

Physical and chemical properties of 1000343-73-6

Boiling Point

337.7±37.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

209.979248

Flash Point

158.0±26.5 °C

H Bond Acceptors

1

H Bond Donors

1

Index of Refraction

1.697

LogP

1.66

Molecular Formula

C8H7BrN2

Molecular Weight

211.059

PSA

28.68000

Storage condition

2-8°C

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1000343-73-6

Pictograms

Signal Word

 Warning

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

Applications of 1000343-73-6

3-Bromo-5-methyl-1H-pyrrolo[3,2-b]pyridine has several applications across various fields:

  • Pharmaceutical Development: Its derivatives are being explored as potential drugs due to their biological activity against enzymes and cancer cells.
  • Agricultural Chemistry: The compound serves as an intermediate in synthesizing agrochemicals, including insecticides like chlor-antraniliprole .
  • Material Science: Its unique structure allows for applications in developing new materials with specific electronic or optical properties.

Interaction Studies of 1000343-73-6

Studies on the interactions of 3-Bromo-5-methyl-1H-pyrrolo[3,2-b]pyridine with biological targets have revealed:

  • Enzyme Inhibition Profiles: Detailed investigations into its role as an inhibitor of acetyl-CoA carboxylase have shown promising results in modulating metabolic pathways .
  • Binding Affinity: Research indicates that this compound can bind effectively to certain receptors or enzymes, influencing their activity and providing insights into its therapeutic potential .

Biological Activity of 1000343-73-6

Research indicates that 3-Bromo-5-methyl-1H-pyrrolo[3,2-b]pyridine possesses significant biological activities, including:

  • Inhibition of Enzymes: It has been studied for its potential as an inhibitor of acetyl-CoA carboxylase, an enzyme involved in fatty acid metabolism. This inhibition may have implications for metabolic disorders and obesity treatments .
  • Antimicrobial Properties: Preliminary studies suggest that derivatives of this compound exhibit antimicrobial activity, making it a candidate for further development in pharmaceutical applications .
  • Cytotoxicity: Some analogs have shown cytotoxic effects against various cancer cell lines, indicating potential in cancer therapy .

Retrosynthesis analysis of 1000343-73-6

  • Route#1

    Cas:4943-67-3
    Cas:1000343-73-6

  • Route#2

    Cas:65156-94-7
    Cas:1000343-73-6

  • Route#3

    Cas:400777-06-2
    Cas:1000343-73-6