MedKoo Cat#: 462444 | Name: THS-044
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

THS-044 is a biochemical whose binding stabilizes the HIF2α PAS-B folded state, utilized for regulating HIF2 activity in endogenous and clinical settings.

Chemical Structure

THS-044
THS-044
CAS#62054-67-5

Theoretical Analysis

MedKoo Cat#: 462444

Name: THS-044

CAS#: 62054-67-5

Chemical Formula: C11H12F3N3O3

Exact Mass: 291.0831

Molecular Weight: 291.23

Elemental Analysis: C, 45.37; H, 4.15; F, 19.57; N, 14.43; O, 16.48

Price and Availability

Size Price Availability Quantity
50mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,450.00 2 Weeks
1g USD 3,250.00 2 Weeks
2g USD 5,950.00 2 Weeks
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Related CAS #
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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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 291.23 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.

Recalculate based on batch purity %
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
Yu, Y., Yu, Q., & Zhang, X. (2019). Allosteric inhibition of HIF-2α as a novel therapy for clear cell renal cell carcinoma. Drug discovery today, 24(12), 2332-2340. Yamanaka, K., Inoue, Y., Imanishi, M., & Ohkanda, J. (2024). Functional evaluation of an electrophilic focused library to identify a covalent inhibitor against intrinsically disordered circadian clock transcription factors. Bioorganic & Medicinal Chemistry Letters, 98, 129588. Scheuermann, T. H., Tomchick, D. R., Machius, M., Guo, Y., Bruick, R. K., & Gardner, K. H. (2009). Artificial ligand binding within the HIF2α PAS-B domain of the HIF2 transcription factor. Proceedings of the National Academy of Sciences, 106(2), 450-455. Key, J., Scheuermann, T. H., Anderson, P. C., Daggett, V., & Gardner, K. H. (2009). Principles of ligand binding within a completely buried cavity in HIF2α PAS-B. Journal of the American Chemical Society, 131(48), 17647-17654. Hagenbuchner, J., & Ausserlechner, M. J. (2016). Targeting transcription factors by small compounds—Current strategies and future implications. Biochemical pharmacology, 107, 1-13.