WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 462444
CAS#: 62054-67-5
Description: THS-044 binding stabilizes the HIF2α PAS-B folded state, for regulating HIF2 activity in endogenous and clinical settings.
MedKoo Cat#: 462444
Name: THS-044
CAS#: 62054-67-5
Chemical Formula: C11H12F3N3O3
Exact Mass: 291.0831
Molecular Weight: 291.2302
Elemental Analysis: C, 45.37; H, 4.15; F, 19.57; N, 14.43; O, 16.48
Synonym: THS-044; THS044; THS 044
IUPAC/Chemical Name: N-(2-nitro-4-(trifluoromethyl)phenyl)morpholin-4-amine
InChi Key: XUPDNGHJBHPAKD-UHFFFAOYSA-N
InChi Code: 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
SMILES Code: FC(C1=CC=C(NN2CCOCC2)C([N+]([O-])=O)=C1)(F)F
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 291.2302 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Motto I, Bordogna A, Soshilov AA, Denison MS, Bonati L. New aryl hydrocarbon receptor homology model targeted to improve docking reliability. J Chem Inf Model. 2011;51(11):2868-2881. doi:10.1021/ci2001617
2: Scheuermann TH, Tomchick DR, Machius M, Guo Y, Bruick RK, Gardner KH. Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor. Proc Natl Acad Sci U S A. 2009;106(2):450-455. doi:10.1073/pnas.0808092106
