structure of 2-(2,3-Dimethyl-1H-indol-5-yl)acetic acid

2-(2,3-Dimethyl-1H-indol-5-yl)acetic acid

CAS No.: 100068-17-5
M. Wt: 203.2409973
M. Fa: C12H13NO2
InChI Key: YQJMPNCDSJYOLT-UHFFFAOYSA-N

Names and Identifiers of 100068-17-5

CAS Number

100068-17-5

MDL Number

MFCD01464081

IUPAC Name

2-(2,3-dimethyl-1H-indol-5-yl)acetic acid

InChI

InChI=1S/C12H13NO2/c1-7-8(2)13-11-4-3-9(5-10(7)11)6-12(14)15/h3-5,13H,6H2,1-2H3,(H,14,15)

InChIKey

YQJMPNCDSJYOLT-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C)C2=CC(CC(=O)O)=CC=C2N1

UNSPSC Code

12352100

Physical and chemical properties of 100068-17-5

H Bond Acceptors

2

H Bond Donors

2

LogP

2.42273881066667

Molecular Formula

C12H13NO2

Molecular Weight

203.2409973

Safety Information of 100068-17-5

Pictograms

Signal Word

 Warning

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

Applications of 100068-17-5

The applications of 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid span various fields:

  • Pharmaceuticals: As a potential drug candidate due to its biological activities.
  • Agriculture: Studied for use as a plant growth regulator, influencing plant development processes.
  • Chemical Research: Utilized as a building block in organic synthesis for developing more complex molecules.

Interaction Studies of 100068-17-5

Interaction studies have shown that 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid can interact with various biological targets, including:

  • Enzymes: It may inhibit or modulate enzyme activity relevant to cancer and microbial infections.
  • Receptors: Potential interactions with neurotransmitter receptors suggest implications in neuropharmacology.

These interactions highlight its potential therapeutic applications and warrant further investigation into its mechanisms of action.

Biological Activity of 100068-17-5

Research indicates that 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid exhibits significant biological activities. It has been studied for:

  • Antimicrobial Properties: Demonstrating effectiveness against certain bacterial strains.
  • Anticancer Activity: Showing potential in inhibiting cancer cell proliferation in vitro.
  • Neuroprotective Effects: Indicating possible benefits in protecting neuronal cells from damage.

These activities are attributed to the compound's ability to interact with biological pathways and enzymes relevant to these processes.