structure of 5-Bromo-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine

5-Bromo-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine

CAS No.: 1000343-87-2
M. Wt: 226.073
M. Fa: C8H8BrN3
InChI Key: VFSMVLHMZHFKFE-UHFFFAOYSA-N

Names and Identifiers of 1000343-87-2

CAS Number

1000343-87-2

IUPAC Name

5-bromo-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine

InChI

InChI=1S/C8H8BrN3/c1-4-6(9)2-5-7(10)3-11-8(5)12-4/h2-3H,10H2,1H3,(H,11,12)

InChIKey

VFSMVLHMZHFKFE-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=C2C(=CNC2=N1)N)Br

Physical and chemical properties of 1000343-87-2

Density

1.7±0.1 g/cm3

Exact Mass

224.990158

Index of Refraction

1.759

LogP

2.15

Molecular Formula

C8H8BrN3

Molecular Weight

226.073

PSA

54.70000

Applications of 1000343-87-2

The applications of 5-Bromo-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine span several fields:

  • Medicinal Chemistry: As a precursor for synthesizing kinase inhibitors and other pharmacologically active compounds.
  • Biological Research: Used to study cellular signaling pathways and protein interactions.
  • Material Science: Employed in developing new materials and as an intermediate in dye synthesis.

Interaction Studies of 1000343-87-2

Studies on the interactions of 5-Bromo-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine with various molecular targets have indicated its potential as an effective inhibitor of specific kinases. The compound's binding affinity to these targets can be influenced by the presence of both the bromine atom and the methyl group, enhancing its therapeutic profile. Interaction studies are crucial for understanding its mechanism of action and optimizing its efficacy as a drug candidate.

Biological Activity of 1000343-87-2

5-Bromo-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine exhibits significant biological activity, particularly in the context of kinase inhibition. Kinases are critical enzymes involved in various cellular signaling pathways, and their dysregulation is often associated with diseases such as cancer. The compound's ability to inhibit specific kinases makes it a valuable tool in drug discovery and development. Additionally, it has been used in studies investigating cellular signaling mechanisms and protein functions.