WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555866
Description: HUN20688, also known as TXNRD1 inhibitor 1 ands TRi-1, is a potent, specific and irreversible inhibitor of cytosolic thioredoxin reductase 1 (TXNRD1). This product has not formal name. For the convenience of scientific communication, we named it by combining its Inchi key (3 letters from the first letter of each section) with the last 5 digits of its CAS number or its molecule weight if its CAS number is not available (see MedKoo Chemical Nomenclature, https://www.medkoo.com/page/naming).
MedKoo Cat#: 555866
Chemical Formula: C13H10ClNO5S
Exact Mass: 326.9968
Molecular Weight: 327.735
Elemental Analysis: C, 47.64; H, 3.08; Cl, 10.82; N, 4.27; O, 24.41; S, 9.78
Synonym: TXNRD1 inhibitor 1; TRi-1; HUN20688; HUN-20688; HUN 20688;
IUPAC/Chemical Name: 2-((4-chlorophenyl)sulfonyl)-4-methoxy-1-nitrobenzene
InChi Key: HURFJQIYDCUMPC-UHFFFAOYSA-N
InChi Code: InChI=1S/C13H10ClNO5S/c1-20-10-4-7-12(15(16)17)13(8-10)21(18,19)11-5-2-9(14)3-6-11/h2-8H,1H3
SMILES Code: O=[N+](C1=CC=C(OC)N=C1S(=O)(C2=CC=C(Cl)C=C2)=O)[O-]
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 327.735 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|
. Stafford WC, et al. Irreversible inhibition of cytosolic thioredoxin reductase 1 as a mechanistic basis for anticancer therapy. Sci Transl Med. 2018 Feb 14;10(428). pii: eaaf7444.
Cancer cells adapt to their inherently increased oxidative stress through activation of the glutathione (GSH) and thioredoxin (TXN) systems. Inhibition of both of these systems effectively kills cancer cells, but such broad inhibition of antioxidant activity also kills normal cells, which is highly unwanted in a clinical setting.
TXNRD1 inhibitor 1 (TRi-1) impaired growth and viability of human tumor xenografts and syngeneic mouse tumors while having little mitochondrial toxicity and being better tolerated than auranofin. These results display the therapeutic anticancer potential of irreversibly targeting cytosolic TXNRD1 using small molecules and present potent and selective TXNRD1 inhibitors. Given the pronounced up-regulation of TXNRD1 in several metastatic malignancies, it seems worthwhile to further explore the potential benefit of specific irreversible TXNRD1 inhibitors for anticancer therapy.