structure of 3-BROMO-4-METHYL-5-AZAINDOLE

3-BROMO-4-METHYL-5-AZAINDOLE

CAS No.: 1000342-72-2
M. Wt: 211.059
M. Fa: C8H7BrN2
InChI Key: UBMRHTWKYONRMN-UHFFFAOYSA-N

Names and Identifiers of 3-BROMO-4-METHYL-5-AZAINDOLE

CAS Number

1000342-72-2

MDL Number

MFCD09749964

IUPAC Name

3-bromo-4-methyl-1H-pyrrolo[3,2-c]pyridine

InChI

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

InChIKey

UBMRHTWKYONRMN-UHFFFAOYSA-N

Canonical SMILES

CC1=NC=CC2=C1C(Br)=CN2

UNSPSC Code

12352100

Physical and chemical properties of 3-BROMO-4-METHYL-5-AZAINDOLE

Boiling Point

347.2±37.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

209.979248

Flash Point

163.8±26.5 °C

H Bond Acceptors

1

H Bond Donors

1

Index of Refraction

1.697

LogP

1.88

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 3-BROMO-4-METHYL-5-AZAINDOLE

Pictograms

Signal Word

 Warning

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

Applications of 3-BROMO-4-METHYL-5-AZAINDOLE

3-Bromo-4-methyl-1H-pyrrolo[3,2-c]pyridine has numerous applications in scientific research:

  • Medicinal Chemistry: It serves as a building block for synthesizing more complex heterocyclic compounds with potential therapeutic effects.
  • Biological Studies: It is used in studies related to enzyme inhibitors and receptor modulators.
  • Agrochemicals: The compound is also utilized in the synthesis of agrochemicals and specialty chemicals due to its unique structural properties.

Interaction Studies of 3-BROMO-4-METHYL-5-AZAINDOLE

Interaction studies involving 3-Bromo-4-methyl-1H-pyrrolo[3,2-c]pyridine have focused on its binding affinity to various proteins and receptors. For instance, structure-based design approaches have been employed to optimize its interactions with fibroblast growth factor receptors, enhancing its efficacy as a therapeutic agent. These studies are crucial for understanding the molecular mechanisms underlying its biological activity and potential therapeutic applications.

Biological Activity of 3-BROMO-4-METHYL-5-AZAINDOLE

Research indicates that 3-Bromo-4-methyl-1H-pyrrolo[3,2-c]pyridine exhibits significant biological activity, particularly in the realm of cancer research. It has been shown to inhibit the proliferation of cancer cells by targeting specific signaling pathways, including the RAS-MEK-ERK and PI3K-Akt pathways. This compound interacts with various biological targets, including fibroblast growth factor receptors (FGFRs), which are critical for cell signaling and growth regulation.