structure of 6-Methyl-5-nitro-1H-pyrrolo[2,3-B]pyridine

6-Methyl-5-nitro-1H-pyrrolo[2,3-B]pyridine

CAS No.: 1000340-19-1
M. Wt: 177.160
M. Fa: C8H7N3O2
InChI Key: DLYUJKUXLFSSDQ-UHFFFAOYSA-N

Names and Identifiers of 1000340-19-1

CAS Number

1000340-19-1

MDL Number

MFCD09880107

IUPAC Name

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

InChI

InChI=1S/C8H7N3O2/c1-5-7(11(12)13)4-6-2-3-9-8(6)10-5/h2-4H,1H3,(H,9,10)

InChIKey

DLYUJKUXLFSSDQ-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=C2C=CNC2=N1)[N+](=O)[O-]

UNSPSC Code

12352100

Physical and chemical properties of 1000340-19-1

Density

1.4±0.1 g/cm3

Exact Mass

177.053833

Index of Refraction

1.707

LogP

2.83

Molecular Formula

C8H7N3O2

Molecular Weight

177.160

PSA

74.50000

Storage condition

Sealed in dry,Room Temperature

Safety Information of 1000340-19-1

Pictograms

Signal Word

 Warning

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

Applications of 1000340-19-1

The applications of 6-Methyl-5-nitro-1H-pyrrolo[2,3-B]pyridine span various fields:

  • Pharmaceuticals: Its role as an FGFR inhibitor makes it a candidate for drug development in oncology.
  • Research: Used as a tool compound in biological studies to understand receptor signaling pathways and cellular responses.
  • Chemical Biology: Investigated for its potential in developing novel therapeutic agents targeting specific diseases.

Interaction Studies of 1000340-19-1

Interaction studies have focused on the binding affinity of 6-Methyl-5-nitro-1H-pyrrolo[2,3-B]pyridine to FGFRs and other related proteins. These studies utilize techniques such as:

  • Surface Plasmon Resonance (SPR): To measure binding kinetics and affinities.
  • X-ray Crystallography: To elucidate the structural basis of interactions at the molecular level.
  • Cell-based Assays: To evaluate functional outcomes following compound treatment in various cancer cell lines.

Biological Activity of 1000340-19-1

6-Methyl-5-nitro-1H-pyrrolo[2,3-B]pyridine exhibits significant biological activities, primarily as an inhibitor of fibroblast growth factor receptors (FGFR). This inhibition is crucial in cancer treatment as FGFR plays a role in tumor proliferation and survival. Studies have shown that derivatives of pyrrolo[2,3-B]pyridine can effectively disrupt FGFR signaling pathways, making them potential candidates for targeted cancer therapies.