HUN20688 | TXNRD1 inhibitor | CAS#246020-68-8

MedKoo Cat#: 555866 | Name: HUN20688

Description:

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

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

HUN20688

CAS#246020-68-8

Theoretical Analysis

MedKoo Cat#: 555866

Name: HUN20688

CAS#: 246020-68-8

Chemical Formula: C13H10ClNO5S

Exact Mass: 326.9968

Molecular Weight: 327.74

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
100mg	USD 750.00	2 Weeks
200mg	USD 1,150.00	2 Weeks
500mg	USD 1,850.00	2 Weeks
1g	USD 2,450.00	2 Weeks
2g	USD 3,950.00	2 Weeks

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Related CAS #

No Data

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.

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	Soluble in DMSO	0.0	0.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

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]. 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.