HUN20688
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MedKoo CAT#: 555866

CAS#: 246020-68-8

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 no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

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HUN20688
CAS# 246020-68-8
Instruction

Theoretical Analysis

MedKoo Cat#: 555866
Name: HUN20688
CAS#: 246020-68-8
Chemical Formula: C13H10ClNO5S
Exact Mass: 327.00
Molecular Weight: 327.735
Elemental Analysis: C, 47.64; H, 3.08; Cl, 10.82; N, 4.27; O, 24.41; S, 9.78

Price and Availability

Size Price Availability Quantity
100mg USD 750 2 Weeks
200mg USD 1150 2 Weeks
500mg USD 1850 2 Weeks
1g USD 2450 2 Weeks
2g USD 3950 2 Weeks
Bulk inquiry

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

More Info: 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.

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 0.00

Preparing Stock Solutions

The following data is based on the product molecular weight 327.74 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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[1]. 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.