structure of 1-[2,4-Bis(methylsulfonyl)phenyl]piperazine

1-[2,4-Bis(methylsulfonyl)phenyl]piperazine

CAS No.: 1000018-17-6
M. Wt: 318.412
M. Fa: C12H18N2O4S2
InChI Key: RQHNMARLZQGRBN-UHFFFAOYSA-N

Names and Identifiers of 1000018-17-6

CAS Number

1000018-17-6

MDL Number

MFCD09800749

IUPAC Name

1-[2,4-bis(methylsulfonyl)phenyl]piperazine

InChI

InChI=1S/C12H18N2O4S2/c1-19(15,16)10-3-4-11(12(9-10)20(2,17)18)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3

InChIKey

RQHNMARLZQGRBN-UHFFFAOYSA-N

Canonical SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)C

UNSPSC Code

12352100

Physical and chemical properties of 1000018-17-6

Boiling Point

620.1±55.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

318.070801

Flash Point

328.9±31.5 °C

Index of Refraction

1.557

LogP

-1.31

Molecular Formula

C12H18N2O4S2

Molecular Weight

318.412

Vapour Pressure

0.0±1.8 mmHg at 25°C

Safety Information of 1000018-17-6

Pictograms

Signal Word

 Warning

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

Applications of 1000018-17-6

1-[2,4-Bis(methylsulfonyl)phenyl]piperazine has several applications in scientific research and industry:

  • Medicinal Chemistry: It serves as a precursor in the development of pharmaceuticals with potential therapeutic effects.
  • Proteomics Research: Utilized to study protein interactions and functions.
  • Material Science: Employed in the development of new materials and chemical processes due to its unique chemical properties.

Interaction Studies of 1000018-17-6

Interaction studies involving 1-[2,4-Bis(methylsulfonyl)phenyl]piperazine focus on its binding affinity to various biological targets. These studies aim to identify its potential as an enzyme inhibitor or receptor modulator. Preliminary findings suggest that it may interact with enzymes involved in inflammatory pathways, which could lead to anti-inflammatory effects. Further research is necessary to map out its interaction profile comprehensively.

Biological Activity of 1000018-17-6

The biological activity of 1-[2,4-Bis(methylsulfonyl)phenyl]piperazine is primarily attributed to its interaction with specific molecular targets, including enzymes and receptors. The sulfonyl groups may enhance binding affinity to active sites of enzymes, potentially inhibiting their activity. Preliminary studies suggest that this compound may exhibit antimicrobial and anti-inflammatory properties, although further research is needed to fully elucidate its pharmacological profile.