structure of Tibenelast sodium

Tibenelast sodium

CAS No.: 105102-18-9
M. Wt: 288.29500
M. Fa: C13H13NaO4S
InChI Key: ILEWAUWOUIHKID-UHFFFAOYSA-M

Names and Identifiers of Tibenelast sodium

CAS Number

105102-18-9

MDL Number

MFCD00864802

IUPAC Name

sodium;5,6-diethoxy-1-benzothiophene-2-carboxylate

InChI

InChI=1S/C13H14O4S.Na/c1-3-16-9-5-8-6-12(13(14)15)18-11(8)7-10(9)17-4-2;/h5-7H,3-4H2,1-2H3,(H,14,15);/q;+1/p-1

InChIKey

ILEWAUWOUIHKID-UHFFFAOYSA-M

Canonical SMILES

CCOC1=C(C=C2C(=C1)C=C(S2)C(=O)[O-])OCC.[Na+]

UNII

V58CN2SY21

UNSPSC Code

12352100

Physical and chemical properties of Tibenelast sodium

Boiling Point

440.8ºC at 760mmHg

Exact Mass

288.04300

Flash Point

220.4ºC

H Bond Acceptors

4

H Bond Donors

0

LogP

2.06220

Molecular Formula

C13H13NaO4S

Molecular Weight

288.29500

PSA

86.83000

Vapour Pressure

1.52E-08mmHg at 25°C

Safety Information of Tibenelast sodium

Pictograms

Signal Word

 Warning

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

Applications of Tibenelast sodium

Tibenelast sodium is utilized in various applications, primarily in:

  • Pharmaceuticals: As a key ingredient in formulations aimed at treating inflammatory conditions such as arthritis and other pain-related disorders.
  • Research: Used in studies investigating anti-inflammatory pathways and drug interactions.
  • Cosmetics: Occasionally included in topical formulations for its soothing properties.

Interaction Studies of Tibenelast sodium

Studies on Tibenelast sodium have shown that it interacts with several biological targets:

  • Enzymatic Interactions: It inhibits enzymes such as cyclooxygenase (COX), which are pivotal in the inflammatory response.
  • Receptor Binding: Tibenelast sodium may bind to specific receptors involved in pain signaling pathways, further elucidating its analgesic effects.

These interactions highlight its potential for combination therapies with other anti-inflammatory agents to enhance therapeutic efficacy.

Biological Activity of Tibenelast sodium

Tibenelast sodium exhibits significant biological activity, particularly as an anti-inflammatory and analgesic agent. It works by inhibiting specific enzymes involved in the inflammatory process, thus reducing pain and swelling. The compound has been studied for its effects on:

  • Cytokine Production: It modulates the production of pro-inflammatory cytokines.
  • Cell Proliferation: Tibenelast sodium may influence cell cycle progression in certain cell types, contributing to its therapeutic effects.