structure of 5-Chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine

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

CAS No.: 1000340-18-0
M. Wt: 166.608
M. Fa: C8H7ClN2
InChI Key: KPLGQZRPWPKTCV-UHFFFAOYSA-N
Appearance: Off white solid

Names and Identifiers of 1000340-18-0

CAS Number

1000340-18-0

MDL Number

MFCD09880081

IUPAC Name

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

InChI

InChI=1S/C8H7ClN2/c1-5-7(9)4-6-2-3-10-8(6)11-5/h2-4H,1H3,(H,10,11)

InChIKey

KPLGQZRPWPKTCV-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=C2C=CNC2=N1)Cl

UNSPSC Code

12352100

Physical and chemical properties of 1000340-18-0

Acidity coefficient

13.33±0.40(Predicted)

Density

1.4±0.1 g/cm3

Exact Mass

166.029770

Index of Refraction

1.675

LogP

3.37

Molecular Formula

C8H7ClN2

Molecular Weight

166.608

PSA

28.68000

Safety Information of 1000340-18-0

Pictograms

Signal Word

 Warning

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

Applications of 1000340-18-0

5-Chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine has potential applications in:

  • Pharmaceutical Development: As an FGFR inhibitor, it is being explored for cancer therapies.
  • Chemical Biology: Its derivatives are studied for their roles in modulating biological pathways related to inflammation and cell proliferation.
  • Material Science: Due to its unique structural properties, it may find applications in the development of novel materials.

Interaction Studies of 1000340-18-0

Interaction studies have demonstrated that 5-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine interacts effectively with various biological targets. For instance, docking studies reveal that it forms hydrogen bonds and hydrophobic interactions with FGFRs, enhancing its inhibitory activity . These interactions are crucial for understanding its mechanism of action and optimizing its efficacy through structural modifications.

Biological Activity of 1000340-18-0

Research indicates that 5-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine exhibits significant biological activity, particularly as an inhibitor of fibroblast growth factor receptors (FGFRs). This inhibition is linked to its potential use in treating various cancers. Studies have shown that modifications to its structure can enhance its potency against specific targets, such as phosphodiesterase 4B (PDE4B) .

Physical sample testing spectrum (NMR) of 1000340-18-0

Physical sample testing spectrum (NMR) of 1000340-18-0