structure of 6-Dimethylamino-1H-indole-2-carboxylic acid

6-Dimethylamino-1H-indole-2-carboxylic acid

CAS No.: 100060-36-4
M. Wt: 204.22500
M. Fa: C11H12N2O2
InChI Key: VSCCUJFHSMALIB-UHFFFAOYSA-N

Names and Identifiers of 100060-36-4

CAS Number

100060-36-4

MDL Number

MFCD02664528

IUPAC Name

6-(dimethylamino)-1H-indole-2-carboxylic acid

InChI

InChI=1S/C11H12N2O2/c1-13(2)8-4-3-7-5-10(11(14)15)12-9(7)6-8/h3-6,12H,1-2H3,(H,14,15)

InChIKey

VSCCUJFHSMALIB-UHFFFAOYSA-N

Canonical SMILES

CN(C)C1=CC2=C(C=C1)C=C(N2)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 100060-36-4

Acidity coefficient

4.15±0.30(Predicted)

Boiling Point

450.0±25.0 °C(Predicted)

Density

1.340±0.06 g/cm3(Predicted)

Exact Mass

204.09000

H Bond Acceptors

3

H Bond Donors

2

LogP

1.93210

Molecular Formula

C11H12N2O2

Molecular Weight

204.22500

PSA

56.33000

Safety Information of 100060-36-4

Pictograms

Signal Word

 Warning

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

Applications of 100060-36-4

6-Dimethylamino-1H-indole-2-carboxylic acid has several applications across different fields:

  • Pharmaceutical Research: It is utilized in drug discovery processes due to its potential therapeutic effects and biological activities.
  • Chemical Probes: The compound serves as a chemical probe in biochemical assays to study enzyme interactions or cellular pathways.
  • Material Science: Its unique structure allows for exploration in developing new materials with specific electronic or optical properties.

Interaction Studies of 100060-36-4

Interaction studies involving 6-Dimethylamino-1H-indole-2-carboxylic acid focus on its binding affinity to various biological targets:

  • Protein-Ligand Interactions: Investigations into how this compound interacts with specific proteins can provide insights into its mechanism of action.
  • Receptor Binding: Studies may evaluate its effects on neurotransmitter receptors, contributing to understanding its potential psychoactive properties.

Biological Activity of 100060-36-4

Research indicates that 6-Dimethylamino-1H-indole-2-carboxylic acid exhibits various biological activities, including:

  • Antimicrobial Properties: Studies have shown that this compound can inhibit the growth of certain bacteria and fungi, making it a candidate for further exploration in antimicrobial drug development.
  • Pharmacological Potential: Due to its structural similarity to other biologically active indoles, it may possess properties that influence neurotransmitter systems, potentially impacting mood and cognitive functions.