SNU-0039 (DWK-133) is an orally bioavailable inhibitor of β-amyloid protein aggregation with the potential to be used as an anti-Alzheimer's agent.

Physicochemical Properties

Molecular Formula	C20H22O4
Molecular Weight	326.39
Exact Mass	326.152
CAS #	1018946-38-7
Related CAS #	1018946-38-7;
PubChem CID	24764491
Appearance	White to off-white solid powder
LogP	4.696
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	24
Complexity	375
Defined Atom Stereocenter Count	0
InChi Key	CUEPJIGXQLIOIK-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H22O4/c1-21-10-4-5-14-6-8-17-16(11-14)13-19(24-17)15-7-9-18(22-2)20(12-15)23-3/h6-9,11-13H,4-5,10H2,1-3H3
Chemical Name	2-(3,4-Dimethoxyphenyl)-5-(3-methoxypropyl) benzofuran
Synonyms	SNU0039 DWK1339SNU 0039 DWK 1339SNU-0039 DWK-1339
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	MDR-1339 is an Aβ aggregation inhibitor that modestly inhibits CYP2C8 (IC50, 31.4 μM) but has no discernible inhibitory impact on a set of CYP isoenzymes. MDR-1339 (3.1-50 μM) depolymerizes Aβ fibrils and inhibits Aβ aggregation formation in a dose-dependent manner. Additionally, MDR-1339 (1.5–10 μM) shields cells from the toxicity caused by Aβ [1].
ln Vivo	In a mouse model of Alzheimer's disease (AD), MDR-1339 (0.1-10 mg/kg, orally) with an ED50 of 0.19 mg/kg dose-dependently restores passive avoidance reflexes. MDR-1339, given orally to APP/PS1 mice every day for eight weeks at doses of 30 and 100 mg/kg, dramatically enhanced spontaneous alternation and decreased Aβ1-40 and Aβ1-42 levels [1].
References	[1]. Discovery of an Orally Bioavailable Benzofuran Analogue That Serves as a β-Amyloid Aggregation Inhibitor for the Potential Treatment of Alzheimer's Disease. J Med Chem. 2018 Jan 11;61(1):396-402.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~153.19 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (7.66 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 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 (7.66 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	3.0638 mL	15.3191 mL	30.6382 mL
	5 mM	0.6128 mL	3.0638 mL	6.1276 mL
	10 mM	0.3064 mL	1.5319 mL	3.0638 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.