structure of Methyl 2-(5-methoxy-1H-indol-3-YL)-2-oxoacetate

Methyl 2-(5-methoxy-1H-indol-3-YL)-2-oxoacetate

CAS No.: 99988-56-4
M. Wt: 233.22000
M. Fa: C12H11NO4
InChI Key: APDBGLFLFVDKDE-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 99988-56-4

CAS Number

99988-56-4

MDL Number

MFCD09953157

IUPAC Name

methyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate

InChI

InChI=1S/C12H11NO4/c1-16-7-3-4-10-8(5-7)9(6-13-10)11(14)12(15)17-2/h3-6,13H,1-2H3

InChIKey

APDBGLFLFVDKDE-UHFFFAOYSA-N

Canonical SMILES

COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)OC

UNSPSC Code

12352100

Physical and chemical properties of 99988-56-4

Exact Mass

233.06900

LogP

1.53220

Molecular Formula

C12H11NO4

Molecular Weight

233.22000

PSA

68.39000

Safety Information of 99988-56-4

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 99988-56-4

Methyl 2-(5-methoxy-1H-indol-3-YL)-2-oxoacetate finds applications across various fields:

  • Medicinal Chemistry: Used as an intermediate in drug synthesis targeting specific biological pathways, including cyclooxygenase inhibitors.
  • Agrochemicals: Its derivatives are explored for potential use in agricultural applications.
  • Industrial Chemistry: Employed in producing dyes, pigments, and other industrial chemicals due to its unique structural properties .

Interaction Studies of 99988-56-4

Interaction studies involving methyl 2-(5-methoxy-1H-indol-3-YL)-2-oxoacetate focus on its binding affinity with various biological targets. These studies help elucidate its mechanism of action and potential therapeutic effects, particularly in cancer pathways where it may exhibit anticancer efficacy through interactions with specific kinases .

Biological Activity of 99988-56-4

Indole derivatives, including methyl 2-(5-methoxy-1H-indol-3-YL)-2-oxoacetate, are known for their diverse biological activities. Research indicates that this compound exhibits:

  • Antiviral properties
  • Anticancer effects
  • Anti-inflammatory activity
  • Antioxidant effects
  • Antimicrobial and antidiabetic activities

These biological activities are attributed to the compound's ability to interact with various molecular targets, including enzymes and receptors involved in critical biochemical pathways .

Retrosynthesis analysis of 99988-56-4

  • Route#1

    Cas:2426-19-9
    Cas:67-56-1
    Cas:99988-56-4
  • Route#2

    Cas:124-41-4
    Cas:2426-19-9
    Cas:99988-56-4
  • Route#3

    Cas:1006-94-6
    Cas:99988-56-4