THS-044
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    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.


Chemical Structure

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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: 291.2302
Elemental Analysis: C, 45.37; H, 4.15; F, 19.57; N, 14.43; O, 16.48

Price and Availability

Size Price Availability Quantity
10.0mg USD 950.0 2 Weeks
50.0mg USD 2650.0 2 Weeks
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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

Preparing Stock Solutions

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.

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

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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

THS-044

10.0mg / USD 950.0