structure of 3-amino-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

3-amino-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

CAS No.: 1000340-50-0
M. Wt: 158.160
M. Fa: C8H6N4
InChI Key: KTJZUCSOJCVMGI-UHFFFAOYSA-N

Names and Identifiers of 1000340-50-0

CAS Number

1000340-50-0

IUPAC Name

3-amino-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

InChI

InChI=1S/C8H6N4/c9-3-5-1-2-11-8-7(5)6(10)4-12-8/h1-2,4H,10H2,(H,11,12)

InChIKey

KTJZUCSOJCVMGI-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C2C(=C1C#N)C(=CN2)N

Physical and chemical properties of 1000340-50-0

Boiling Point

365.7±37.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

158.059250

Flash Point

175.0±26.5 °C

Index of Refraction

1.735

LogP

1.43

Molecular Formula

C8H6N4

Molecular Weight

158.160

PSA

78.49000

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 1000340-50-0

Pictograms

Signal Word

 Warning

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

Applications of 1000340-50-0

The applications of 3-amino-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile span several fields:

  • Pharmaceuticals: Due to its biological activities, it is being explored as a lead compound for developing new anticancer and antimicrobial agents.
  • Material Science: Its unique structure may lend itself to applications in organic electronics or as precursors for novel materials.

Research continues into expanding its application potential across various industries.

Interaction Studies of 1000340-50-0

Interaction studies involving 3-amino-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile focus on its binding affinity with biological targets. For instance:

  • Protein-Ligand Interactions: Studies have shown that this compound can interact with specific proteins, influencing their activity and potentially leading to therapeutic effects .

Understanding these interactions is crucial for optimizing its efficacy and safety profile in drug development.

Biological Activity of 1000340-50-0

Research has shown that 3-amino-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile exhibits significant biological activities, including:

  • Antitumor Activity: Studies indicate that derivatives of pyrrolo[2,3-b]pyridine have shown promise in inhibiting cancer cell proliferation.
  • Antimicrobial Properties: Some derivatives have demonstrated effectiveness against various bacterial strains.
  • Enzyme Inhibition: The compound may act as an inhibitor for certain enzymes involved in metabolic pathways, which could be leveraged for therapeutic purposes.

These biological activities make it a candidate for further investigation in drug development.