For research use only. Not for therapeutic Use.
Obafistat is a potent aldo-keto reductase AKR1C3 inhibitor with an IC50 of 1.2 nM for human AKR1C3 (patent WO2017202817A1, example 4)[1].
| Catalog Number | I033767 |
| CAS Number | 2160582-57-8 |
| Synonyms | [8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-(2H-triazol-4-yl)methanone |
| Molecular Formula | C15H16FN5O3S |
| Purity | ≥95% |
| InChI | InChI=1S/C15H16FN5O3S/c16-10-2-1-3-13(6-10)25(23,24)21-11-4-5-12(21)9-20(8-11)15(22)14-7-17-19-18-14/h1-3,6-7,11-12H,4-5,8-9H2,(H,17,18,19) |
| InChIKey | MQFQQVWKRIYYPY-UHFFFAOYSA-N |
| SMILES | C1CC2CN(CC1N2S(=O)(=O)C3=CC=CC(=C3)F)C(=O)C4=NNN=C4 |
| Reference | [1]. Marcus Koppitz, et al. [8-(phenylsulfonyl)-3,8-diazabicyclo[3.2.1]oct-3-yl] (1h-1,2,3-triazol-4-yl)methanones. WO2017202817A1. |
