structure of 4-Methylsulfonyl-3-(pyrrolidin-1-yl)benzoic acid

4-Methylsulfonyl-3-(pyrrolidin-1-yl)benzoic acid

CAS No.: 1000018-48-3
M. Wt: 269.31700
M. Fa: C12H15NO4S
InChI Key: SPQRLYMDRXWCPI-UHFFFAOYSA-N

Names and Identifiers of 1000018-48-3

CAS Number

1000018-48-3

MDL Number

MFCD09743732

IUPAC Name

4-methylsulfonyl-3-pyrrolidin-1-ylbenzoic acid

InChI

InChI=1S/C12H15NO4S/c1-18(16,17)11-5-4-9(12(14)15)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)

InChIKey

SPQRLYMDRXWCPI-UHFFFAOYSA-N

Canonical SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)N2CCCC2

UNSPSC Code

12352100

Physical and chemical properties of 1000018-48-3

Exact Mass

269.07200

LogP

2.53430

Molecular Formula

C12H15NO4S

Molecular Weight

269.31700

PSA

83.06000

Storage condition

2-8°C

Safety Information of 1000018-48-3

Pictograms

Signal Word

 Warning

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

Interaction Studies of 1000018-48-3

Interaction studies involving 4-Methylsulfonyl-3-(pyrrolidin-1-yl)benzoic acid focus on its binding affinity to various biological targets:

  • Protein Binding Studies: Assessing how this compound interacts with proteins can provide insights into its mechanism of action and potential therapeutic applications.
  • Cellular Uptake Studies: Understanding how effectively this compound is taken up by cells can inform its bioavailability and efficacy in vivo.

Biological Activity of 1000018-48-3

Research indicates that 4-Methylsulfonyl-3-(pyrrolidin-1-yl)benzoic acid exhibits notable biological activities:

  • Antimicrobial Properties: Preliminary studies suggest it may possess antimicrobial effects, making it a candidate for further investigation in pharmacology.
  • Potential Anti-inflammatory Effects: Its structural components hint at possible anti-inflammatory activities, although detailed mechanisms remain to be elucidated.