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| IUPAC Name: | 1-(2,5-dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione |
| Description: | 1-(2,5-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione is an intermediate in the synthesis of 2,5-Dimethyl Celecoxib (D470890), which is a non-cyclooxygenase-2 inhibitor analog of Celecoxib (C251000). The celecoxib analog, 2,5-di-Me celecoxib (DMC), lacks COX-2 inhibitory activity but exhibits cytotoxic properties comparable to the COX-2 inhibitor Celecoxib. |
| Molecular Weight: | 244.21 |
| Molecular Formula: | C12H11F3O2 |
| Canonical SMILES: | CC1=CC(=C(C=C1)C)C(=O)CC(=O)C(F)(F)F |
| InChI: | InChI=1S/C12H11F3O2/c1-7-3-4-8(2)9(5-7)10(16)6-11(17)12(13,14)15/h3-5H,6H2,1-2H3 |
| InChI Key: | AGEXHYOSWDVZCS-UHFFFAOYSA-N |
| References: | Deckmann, K. et al. Biochem. Pharmacol., 80, 1365 (2010); Virrey, J.J. et al. Mol. Cancer. Therap., 9, 631 (2010); Chen, S. et al. Leukemia Res., 34, 250 (2010). |
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