LN-165926
4-DesMethyl-3-Methyl Celecoxib , 0.99summer , 170570-01-1
Synonym(s):
4-[5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
Update time: 2023-04-23
PRODUCT Properties
| Melting point: | 137-139°C |
| Boiling point: | 524.3±60.0 °C(Predicted) |
| Density | 1.43±0.1 g/cm3(Predicted) |
| storage temp. | Refrigerator |
| solubility | DMSO (Sparingly), Ethanol (Slightly), Methanol (Slightly) |
| pka | 9.68±0.10(Predicted) |
| color | White to Pale Yellow |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) |
| InChIKey | MPVPOTMPKLOUHZ-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1n[n](c(c1)c3cc(ccc3)C)c2ccc(cc2)[S](=O)(=O)N |
Description and Uses
4-Desmethyl-3-methyl Celecoxib is a meta positional isomer of Celecoxib (C251000) with selective inhibitory activity against human cyclooxygenase-2. USP Celecoxib Related Compound A
Safety
| WGK Germany | WGK 3 |
| HS Code | 2935909550 |
| Storage Class | 11 - Combustible Solids |
