THS-044

Modify Date: 2025-08-23 23:57:32

THS-044 Structure
THS-044 structure
Common Name THS-044
CAS Number 62054-67-5 Molecular Weight 291.227
Density 1.5±0.1 g/cm3 Boiling Point 347.1±52.0 °C at 760 mmHg
Molecular Formula C11H12F3N3O3 Melting Point N/A
MSDS N/A Flash Point 163.7±30.7 °C

 Use of THS-044


THS-044 binding stabilizes the HIF2α PAS-B folded state, for regulating HIF2 activity in endogenous and clinical settings.Target: HIF2αLimited 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.

 Names

Name THS-044
Synonym More Synonyms

 THS-044 Biological Activity

Description THS-044 binding stabilizes the HIF2α PAS-B folded state, for regulating HIF2 activity in endogenous and clinical settings.Target: HIF2αLimited 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.
Related Catalog
References

[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.

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 347.1±52.0 °C at 760 mmHg
Molecular Formula C11H12F3N3O3
Molecular Weight 291.227
Flash Point 163.7±30.7 °C
Exact Mass 291.083069
LogP 1.78
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.561
InChIKey XUPDNGHJBHPAKD-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN1CCOCC1
Storage condition 2-8℃

 Synonyms

N-[2-Nitro-4-(trifluoromethyl)phenyl]-4-morpholinamine
4-Morpholinamine, N-[2-nitro-4-(trifluoromethyl)phenyl]-
N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
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