structure of 1-(1,1-Dioxidotetrahydrothien-3-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(1,1-Dioxidotetrahydrothien-3-yl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.: 1000932-78-4
M. Wt: 247.27
M. Fa: C9H13NO5S
InChI Key: LTTAUOWOFBCYRZ-UHFFFAOYSA-N

Names and Identifiers of 1000932-78-4

CAS Number

1000932-78-4

EC Number

874-135-6

IUPAC Name

1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxylic acid

InChI

InChI=1S/C9H13NO5S/c11-8-3-6(9(12)13)4-10(8)7-1-2-16(14,15)5-7/h6-7H,1-5H2,(H,12,13)

InChIKey

LTTAUOWOFBCYRZ-UHFFFAOYSA-N

Canonical SMILES

C1CS(=O)(=O)CC1N2CC(CC2=O)C(=O)O

Physical and chemical properties of 1000932-78-4

Boiling Point

613.3±55.0 °C(Predicted)

Density

1.570±0.06 g/cm3(Predicted)

Molecular Formula

C9H13NO5S

Molecular Weight

247.27

Safety Information of 1000932-78-4

Pictograms

Signal Word

 Warning

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

Applications of 1000932-78-4

This compound has several potential applications:

  • Proteomics research: Due to its ability to interact with proteins and enzymes, it can be utilized in studies aimed at understanding protein functions and interactions.
  • Pharmaceutical development: Its biological activity makes it a candidate for drug development, particularly in antimicrobial and anticancer therapies.
  • Chemical biology: It can serve as a tool compound in chemical biology studies to probe biological pathways.

Interaction Studies of 1000932-78-4

Interaction studies reveal that 1-(1,1-Dioxidotetrahydrothien-3-yl)-5-oxopyrrolidine-3-carboxylic acid can bind to various biological macromolecules. These studies often employ techniques such as:

  • Surface Plasmon Resonance (SPR): To measure binding kinetics and affinities.
  • Nuclear Magnetic Resonance (NMR): To elucidate binding modes and conformational changes upon interaction.
  • Mass Spectrometry (MS): For analyzing complex mixtures and identifying binding partners.

Such studies are crucial for understanding its mechanism of action and potential therapeutic uses.

Biological Activity of 1000932-78-4

Research indicates that 1-(1,1-Dioxidotetrahydrothien-3-yl)-5-oxopyrrolidine-3-carboxylic acid exhibits notable biological activities, including:

  • Antimicrobial properties: The compound may inhibit the growth of certain bacteria and fungi.
  • Enzyme inhibition: It has potential as an inhibitor of specific enzymes involved in metabolic pathways.
  • Cytotoxic effects: Preliminary studies suggest it could induce apoptosis in cancer cell lines, making it a candidate for anticancer research.