KEA1-97 is a selective Thioredoxin-caspase 3 interaction interferer (IC50=10 μM). KEA1-97 disrupts the interaction between thioredoxin and caspase 3, activates caspases, and induces cell apoptosis without affecting thioredoxin activity.

Physicochemical Properties

Molecular Formula	C15H9CL2FN4
Molecular Weight	335.163163900375
Exact Mass	334.018
Elemental Analysis	C, 53.75; H, 2.71; Cl, 21.15; F, 5.67; N, 16.72
CAS #	2138882-71-8
Related CAS #	2138882-71-8
PubChem CID	135338301
Appearance	White to light yellow solid powder
LogP	5.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	22
Complexity	336
Defined Atom Stereocenter Count	0
InChi Key	DUROVTLUQOYUPH-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H9Cl2FN4/c16-13-20-14(17)22-15(21-13)19-12-7-3-10(4-8-12)9-1-5-11(18)6-2-9/h1-8H,(H,19,20,21,22)
Chemical Name	4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine
Synonyms	KEA197; KEA1 97; KEA1-97
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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

Targets	Caspase 3 (IC50 = 10 μM); Thioredoxin (IC50 = 10 μM)
ln Vitro	KEA1-97 (100 μM; 231MFP cells) impaires thioredoxin pulldown of caspase 3[1]. KEA1-97 (10 μM; 48 hours; 231MFP cells) inhibits the proliferation of 231MFP serum-free cells[1]. KEA1-97 (10 μM; 0~12 hours; 231MFP cells) activates caspase 3/7 and induces apoptotic cell death[1]. KEA1-97 (231MFP cells) is resistant to impairments in survival and proliferation[1].
ln Vivo	KEA1-97 (5 mg/kg; i.p.; 50 days) attenuates tumor xenograft growth[1].
References	[1]. Chemoproteomics-Enabled Covalent Ligand Screening Reveals a Thioredoxin-Caspase 3 Interaction Disruptor That Impairs Breast Cancer Pathogenicity. ACS Chem Biol. 2017;12(10):2522-2528.

Solubility Data

Solubility (In Vitro)

DMSO: ~100 mg/mL (~298.4 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.46 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.9836 mL	14.9182 mL	29.8365 mL
	5 mM	0.5967 mL	2.9836 mL	5.9673 mL
	10 mM	0.2984 mL	1.4918 mL	2.9836 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.