2,5-Dimethylcelecoxib

Basic Information

CAS ID: 457639-26-8
Molecular Formula: C18H16F3N3O2S
Molecular Weight: 395.4 g/mol
Monoisotopic Mass: 395.0915 g/mol
Class: Small Molecule
Natural Product: No
Other Names: Dimethyl Celecoxib
Analysis: Drug repositioning mechanism analysis

N N S O O NH2 F F F

Compound Structure and Identifier

InChI: InChI=1S/C18H16F3N3O2S/c1-11-3-4-12(2)15(9-11)16-10-17(18(19,20)21)23-24(16)13-5-7-14(8-6-13)27(22,25)26/h3-10H,1-2H3,(H2,22,25,26) See All
InChI Key: NTFOSUUWGCDXEF-UHFFFAOYSA-N
Smiles: Cc1ccc(C)c(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F See All
Molfile: Download

Related Target

Related Fibrosis Property

Reference Record 1

PubMed ID 27628899 Target ID
Uniprot ID Name
Model mice Fibrosis Disease Cardiac fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting GSK-3

Related Link

PubChem: 11545682
ChEMBL: CHEMBL2163630