structure of 2-(Isoquinolin-6-yl)acetic acid

2-(Isoquinolin-6-yl)acetic acid

CAS No.: 1000545-64-1
M. Wt: 187.19500
M. Fa: C11H9NO2
InChI Key: QBBKZWYMVFEWSI-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 2-(Isoquinolin-6-yl)acetic acid

CAS Number

1000545-64-1

EC Number

871-949-3

MDL Number

MFCD09925161

IUPAC Name

2-isoquinolin-6-ylacetic acid

InChI

InChI=1S/C11H9NO2/c13-11(14)6-8-1-2-10-7-12-4-3-9(10)5-8/h1-5,7H,6H2,(H,13,14)

InChIKey

QBBKZWYMVFEWSI-UHFFFAOYSA-N

Canonical SMILES

C1=CC2=C(C=CN=C2)C=C1CC(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 2-(Isoquinolin-6-yl)acetic acid

Acidity coefficient

3?+-.0.30(Predicted)

Boiling Point

405.7±20.0 °C(Predicted)

Density

1.297 g/cm3

Exact Mass

187.06300

LogP

1.86190

Molecular Formula

C11H9NO2

Molecular Weight

187.19500

PSA

50.19000

Storage condition

2-8°C

Safety Information of 2-(Isoquinolin-6-yl)acetic acid

Pictograms

Signal Word

 Warning

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

Applications of 2-(Isoquinolin-6-yl)acetic acid

2-(Isoquinolin-6-yl)acetic acid finds applications across various fields:

  • Chemistry: It serves as a building block for synthesizing more complex isoquinoline derivatives.
  • Biology: The compound is investigated for its bioactive properties, including antimicrobial and anticancer activities.
  • Medicine: Ongoing research aims to explore its therapeutic potential for treating various diseases.
  • Industry: It is utilized in developing new materials and as a precursor for synthesizing other valuable chemicals.

Interaction Studies of 2-(Isoquinolin-6-yl)acetic acid

Studies focusing on the interactions of 2-(Isoquinolin-6-yl)acetic acid with biological targets have revealed its binding affinity to specific enzymes and receptors. These studies aim to elucidate its mechanism of action and therapeutic potential, particularly regarding its ability to inhibit certain metabolic enzymes linked to cancer cell proliferation.

Biological Activity of 2-(Isoquinolin-6-yl)acetic acid

Research indicates that 2-(Isoquinolin-6-yl)acetic acid exhibits several biological activities, making it a compound of interest in pharmacological studies. It has shown potential anti-inflammatory and anticancer properties. The compound interacts with various enzymes and proteins, influencing cellular functions and metabolic pathways. For instance, it may modulate gene expression related to metabolic processes, thereby altering the levels of metabolites in cells.

Mechanism of Action

The mechanisms through which 2-(Isoquinolin-6-yl)acetic acid exerts its biological effects involve binding to specific biomolecules, such as enzymes and receptors. This interaction can lead to the inhibition or activation of enzymes involved in critical metabolic pathways, contributing to its therapeutic potential.