For research use only. Not for therapeutic Use.
THS-044 binding stabilizes the HIF2α PAS-B folded state, for regulating HIF2 activity in endogenous and clinical settings.
Target: HIF2α
Limited trypsin proteolysis reveals that both apo and THS-044-bound protein are efficiently cut at R330 in the extended HI loop. In the THS-044 bound state, there appears no additional proteolysis at the remaining candidate trypsin sites. In contrast, these THS-044-protected sites are protease accessible in the unliganded protein, leading its complete degradation. In parallel, NMR-based deuterium exchange measurements revealed a dramatic stabilization of the THS-044-bound protein β-sheet, with some sites experiencing 100-fold enhanced protection factors relative to the ligand-free protein.
| Catalog Number | I004345 |
| CAS Number | 62054-67-5 |
| Synonyms | N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine |
| Molecular Formula | C11H12F3N3O3 |
| Purity | ≥95% |
| InChI | InChI=1S/C11H12F3N3O3/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)15-16-3-5-20-6-4-16/h1-2,7,15H,3-6H2 |
| InChIKey | XUPDNGHJBHPAKD-UHFFFAOYSA-N |
| SMILES | C1COCCN1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
| Reference | [1]. Motto I, et al. New aryl hydrocarbon receptor homology model targeted to improve docking reliability. J Chem Inf Model. 2011 Nov 28;51(11):2868-2881. [2]. Scheuermann TH, et al. Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor. Proc Natl Acad Sci U S A. 2009 Jan 13;106(2):450-455. |
