structure of 6-Chloro-1H-pyrrolo[2,3-b]pyridin-4-amine

6-Chloro-1H-pyrrolo[2,3-b]pyridin-4-amine

CAS No.: 1000340-80-6
M. Wt: 167.596
M. Fa: C7H6ClN3
InChI Key: IKFOABTXBHOTPL-UHFFFAOYSA-N
Appearance: orange solid

Names and Identifiers of 1000340-80-6

CAS Number

1000340-80-6

MDL Number

MFCD09880161

IUPAC Name

6-chloro-1H-pyrrolo[2,3-b]pyridin-4-amine

InChI

InChI=1S/C7H6ClN3/c8-6-3-5(9)4-1-2-10-7(4)11-6/h1-3H,(H3,9,10,11)

InChIKey

IKFOABTXBHOTPL-UHFFFAOYSA-N

Canonical SMILES

C1=CNC2=C1C(=CC(=N2)Cl)N

UNSPSC Code

12352100

Physical and chemical properties of 1000340-80-6

Acidity coefficient

14.21±0.40(Predicted)

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

Index of Refraction

1.777

LogP

2.28

Molecular Formula

C7H6ClN3

Molecular Weight

167.596

PSA

54.70000

Storage condition

2-8°C

Vapour Pressure

0.0±1.0 mmHg at 25°C

Safety Information of 1000340-80-6

Pictograms

Signal Word

 Warning

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

Interaction Studies of 1000340-80-6

Interaction studies have focused on how 6-Chloro-1H-pyrrolo[2,3-b]pyridin-4-amine interacts with biological targets. Key findings include:

  • Binding Affinity: The compound shows promising binding affinity to certain proteins associated with cancer.
  • Metabolic Stability: Studies indicate that some derivatives maintain stability in metabolic pathways, enhancing their potential as drug candidates.

Biological Activity of 1000340-80-6

6-Chloro-1H-pyrrolo[2,3-b]pyridin-4-amine has been studied for its potential as a pharmacological agent. Research indicates that derivatives of this compound exhibit:

  • Antitumor Activity: Some derivatives show effectiveness against cancer cell lines.
  • Inhibition of Kinases: It may act as an inhibitor for certain kinases involved in cancer progression.
  • Neuroprotective Effects: Initial studies suggest possible neuroprotective properties.