structure of 3-Bromo-4-methoxy-1H-pyrrolo[3,2-c]pyridine

3-Bromo-4-methoxy-1H-pyrrolo[3,2-c]pyridine

CAS No.: 1000341-22-9
M. Wt: 227.058
M. Fa: C8H7BrN2O
InChI Key: ALOHKXVQDVMENU-UHFFFAOYSA-N
Appearance: Light brown to gray Solid

Names and Identifiers of 1000341-22-9

CAS Number

1000341-22-9

MDL Number

MFCD09749969

IUPAC Name

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

InChI

InChI=1S/C8H7BrN2O/c1-12-8-7-5(9)4-11-6(7)2-3-10-8/h2-4,11H,1H3

InChIKey

ALOHKXVQDVMENU-UHFFFAOYSA-N

Canonical SMILES

COC1=NC=CC2=C1C(=CN2)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000341-22-9

Boiling Point

362.3±37.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

225.974167

Flash Point

172.9±26.5 °C

H Bond Acceptors

2

H Bond Donors

1

Index of Refraction

1.678

LogP

2.02

Molecular Formula

C8H7BrN2O

Molecular Weight

227.058

PSA

37.91000

Storage condition

2-8°C

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 1000341-22-9

Pictograms

Signal Word

 Warning

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

Applications of 1000341-22-9

3-Bromo-4-methoxy-1H-pyrrolo[3,2-c]pyridine has various applications:

  • Medicinal Chemistry: It serves as a scaffold for the development of kinase inhibitors and other therapeutic agents.
  • Research: The compound is used in biological studies to understand kinase inhibition mechanisms and potential anticancer effects.
  • Pharmaceutical Development: Its unique structure makes it a valuable candidate in drug discovery programs targeting cancer and inflammatory diseases.

Interaction Studies of 1000341-22-9

Studies on 3-bromo-4-methoxy-1H-pyrrolo[3,2-c]pyridine have focused on its interactions with specific biological targets. For instance, it has been evaluated for its ability to inhibit FGFRs and CDKs, which are critical in cell cycle regulation and cancer progression. These interactions suggest that this compound may play a role in modulating signaling pathways involved in tumor growth and metastasis.

Biological Activity of 1000341-22-9

This compound exhibits promising biological activity, particularly as an inhibitor of certain kinases. Research indicates that pyrrolo[3,2-c]pyridine derivatives can inhibit fibroblast growth factor receptors (FGFRs) and cyclin-dependent kinases (CDKs), making them potential candidates for cancer treatment. Additionally, studies have shown that these compounds may possess antiarthritic properties and could be effective against various cancer cell lines by inducing apoptosis and inhibiting cell proliferation.

Physical sample testing spectrum (NMR) of 1000341-22-9

Physical sample testing spectrum (NMR) of 1000341-22-9