ML359 is a potent, selective and reversible inhibitor of protein disulfide isomerase (PDI) with IC50 of 250 nM. ML359 inhibits thrombosis in vivo.

Physicochemical Properties

Molecular Formula	C19H18N4O3
Molecular Weight	350.371223926544
Exact Mass	350.1379
CAS #	1069858-99-6
Appearance	Yellow to brown solid powder
SMILES	O1C=CC=C1C(N(CC)C1C2=CC3C=CC(=CC=3N=C2N(C)N=1)OC)=O
Synonyms	ML 359; ML-359; ML359
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
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

ln Vitro	In high-resolution cell lines (HeLa, HEK293, and HepG2), ML359 shows minimal cytotoxicity, and in vitro, it is moderately efficacious in reducing dye aggregation (25% inhibition at 30 μM) [1].
ln Vivo	A laser damage model shows that ML359 reduces thrombosis [2].
References	[1]. Identification of ML359 as a Small Molecule Inhibitor of Protein Disulfide Isomerase. Probe Reports from the NIH Molecular Libraries Program. 2010-2013 Apr 12. [2]. ML359, a Small Molecule Inhibitor of Protein Disulfide Isomerase That Prevents Thrombus Formation and Inhibits Oxidoreductase but Not Transnitrosylase Activity. Blood (2014) 124 (21): 2880.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~239.27 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.98 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.98 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.98 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	2.8541 mL	14.2706 mL	28.5413 mL
	5 mM	0.5708 mL	2.8541 mL	5.7083 mL
	10 mM	0.2854 mL	1.4271 mL	2.8541 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.