structure of 5-Chloro-1H-pyrrolo[3,2-b]pyridin-7-amine

5-Chloro-1H-pyrrolo[3,2-b]pyridin-7-amine

CAS No.: 1000577-90-1
M. Wt: 167.596
M. Fa: C7H6ClN3
InChI Key: LRIRKYXDGGZLIU-UHFFFAOYSA-N

Names and Identifiers of 1000577-90-1

CAS Number

1000577-90-1

MDL Number

MFCD09878677

IUPAC Name

5-chloro-1H-pyrrolo[3,2-b]pyridin-7-amine

InChI

InChI=1S/C7H6ClN3/c8-6-3-4(9)7-5(11-6)1-2-10-7/h1-3,10H,(H2,9,11)

InChIKey

LRIRKYXDGGZLIU-UHFFFAOYSA-N

Canonical SMILES

C1=CNC2=C1N=C(C=C2N)Cl

UNSPSC Code

12352100

Physical and chemical properties of 1000577-90-1

Boiling Point

428.8±40.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

167.025024

Flash Point

213.2±27.3 °C

H Bond Acceptors

2

H Bond Donors

2

Index of Refraction

1.777

LogP

1.42

Molecular Formula

C7H6ClN3

Molecular Weight

167.596

PSA

54.70000

Vapour Pressure

0.0±1.0 mmHg at 25°C

Safety Information of 1000577-90-1

Pictograms

Signal Word

 Warning

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

Applications of 1000577-90-1

The applications of 5-Chloro-1H-pyrrolo[3,2-b]pyridin-7-amine are diverse:

  • Pharmaceutical Development: Due to its inhibitory properties, it is being explored for drug development aimed at treating conditions such as peptic ulcers and certain cancers.
  • Chemical Research: As a building block in organic synthesis, it serves as an intermediate for synthesizing more complex heterocyclic compounds.
  • Biological Studies: Its unique structure makes it a valuable tool for studying enzyme interactions and biological pathways.

Interaction Studies of 1000577-90-1

Interaction studies have demonstrated that 5-Chloro-1H-pyrrolo[3,2-b]pyridin-7-amine can bind effectively to various biological targets. These studies often involve:

  • Molecular Docking Simulations: To predict how this compound interacts with specific enzymes or receptors.
  • In Vitro Assays: Evaluating its inhibitory effects on target enzymes related to gastric acid secretion and other metabolic pathways.
  • Pharmacokinetic Studies: Assessing absorption, distribution, metabolism, and excretion profiles to understand its potential therapeutic efficacy.

Biological Activity of 1000577-90-1

5-Chloro-1H-pyrrolo[3,2-b]pyridin-7-amine exhibits significant biological activity, particularly as an inhibitor in various enzymatic pathways. Studies have shown that it acts as an inhibitor of gastric acid secretion, making it a candidate for treating gastrointestinal disorders. Its structure allows it to interact effectively with biological targets, potentially modulating pathways involved in cancer and inflammatory diseases.