structure of 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]ethanone

1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]ethanone

CAS No.: 1001112-90-8
M. Wt: 231.25100
M. Fa: C12H13N3O2
InChI Key: -

Names and Identifiers of 1001112-90-8

CAS Number

1001112-90-8

IUPAC Name

1-[1-[(4-methoxyphenyl)methyl]-1,2,3-triazol-4-yl]ethanone

Canonical SMILES

CC(=O)C1=CN(N=N1)CC2=CC=C(C=C2)OC

Physical and chemical properties of 1001112-90-8

Exact Mass

231.10100

LogP

1.53760

Molecular Formula

C12H13N3O2

Molecular Weight

231.25100

PSA

57.01000

Safety Information of 1001112-90-8

Pictograms

Signal Word

 Warning

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

Applications of 1001112-90-8

The applications of 1-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-one span various fields:

  • Pharmaceuticals: Due to its potential biological activities, it may serve as a lead compound in drug discovery for antifungal or anticancer therapies.
  • Agricultural chemicals: Its antimicrobial properties could be harnessed in developing new fungicides or bactericides.
  • Chemical probes: In research settings, it may be utilized as a tool for studying biological processes involving triazole-containing compounds.

Interaction Studies of 1001112-90-8

Interaction studies involving 1-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-one focus on its binding affinities and mechanisms of action with biological targets:

  • Enzyme inhibition assays: These studies assess how well the compound inhibits specific enzymes associated with fungal or cancer cell metabolism.
  • Cell line studies: Evaluating the compound's effects on various cancer cell lines helps determine its therapeutic potential and mechanism of action.

Such studies are critical for understanding how this compound interacts at the molecular level with biological systems.

Biological Activity of 1001112-90-8

Compounds containing triazole rings are often investigated for their biological properties. Research indicates that 1-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-one may exhibit:

  • Antifungal activity: Triazoles are commonly used as antifungal agents due to their ability to inhibit ergosterol synthesis in fungal cell membranes.
  • Antitumor properties: Some studies suggest that triazole derivatives can inhibit cancer cell proliferation through various mechanisms, including apoptosis induction.
  • Antimicrobial effects: The compound may demonstrate activity against bacterial strains, making it a candidate for further pharmacological development.

Retrosynthesis analysis of 1001112-90-8

  • Route#1

    Cas:78-94-4
    Cas:1001112-90-8