PKUMDL-LC-101-D04 (GPX4-Activator-1d4) is a potent allosteric activator (pEC50=4.7) of the ferroptosis regulator glutathione peroxidase 4 (GPX4). PKUMDL-LC-101-D04 increased GPX4 activity to 150% at 20 μM in cell-free assays and 61 μM in cell extracts.

Physicochemical Properties

Molecular Formula	C14H23CLN4O2S2
Molecular Weight	378.941019296646
Exact Mass	378.095
Elemental Analysis	C, 44.38; H, 6.12; Cl, 9.36; N, 14.79; O, 8.44; S, 16.92
CAS #	2143896-83-5
Related CAS #	2143896-83-5 (HCl);2143896-82-4;
PubChem CID	155543553
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	23
Complexity	450
Defined Atom Stereocenter Count	0
SMILES	Cl.S(C1C=CC(=CC=1)NC(NC1CCCC1)=S)(NCCN)(=O)=O
InChi Key	FELDRJSFLBINQS-UHFFFAOYSA-N
InChi Code	InChI=1S/C14H22N4O2S2.ClH/c15-9-10-16-22(19,20)13-7-5-12(6-8-13)18-14(21)17-11-3-1-2-4-11;/h5-8,11,16H,1-4,9-10,15H2,(H2,17,18,21);1H
Chemical Name	N-(2-aminoethyl)-4-[[(cyclopentylamino)thioxomethyl]amino]-benzenesulfonamide, monohydrochloride
Synonyms	PKUMDL-LC-101-D04 ;
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Novel Allosteric Activators for Ferroptosis Regulator Glutathione Peroxidase 4. J Med Chem. 2019;62(1):266-275.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~659.74 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.08 mg/mL (5.49 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6389 mL	13.1947 mL	26.3894 mL
	5 mM	0.5278 mL	2.6389 mL	5.2779 mL
	10 mM	0.2639 mL	1.3195 mL	2.6389 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.