DB-959 (salt) is a novel and potent dual PPARδ/PPARγ agonist (EC50 = 19/297 nM) with the potential to be used for Alzheimer Disease.

Physicochemical Properties

Molecular Formula	C25H26NNAO5
Molecular Weight	443.467418193817
Exact Mass	443.17
CAS #	1258076-66-2
Related CAS #	1257641-15-8 (DB-959 free base);
PubChem CID	11567064
Appearance	White to off-white solid powder
LogP	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	28
Complexity	598
Defined Atom Stereocenter Count	0
InChi Key	UEFWDVMEDFCHGW-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H25N3O3/c1-22(2,21(26)27)15-24-11-13-25(14-12-24)20-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)23-20/h3-10H,11-15H2,1-2H3,(H,26,27)
Chemical Name	3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethylpropanoic acid
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 (e.g. under nitrogen), avoid exposure to moisture and light.
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 Vivo	The impairment of motor function resulting from STZ can be restored with the PPARδ/γ agonist 1 sodium (1 mg/kg; i.g., once daily for 16 days) [1].
Animal Protocol	Animal/Disease Models: STZ-mediated Long Evans rat [1] Doses: 1 mg/kg Route of Administration: po (oral gavage); 1 mg/kg one time/day for 16 days Experimental Results: STZ-mediated performance of rats was improved, And has neuroprotective effects on granule cells and Purkinje cells.
References	[1]. T3D-959: A Multi-Faceted Disease Remedial Drug Candidate for the Treatment of Alzheimer's Disease. J Alzheimers Dis. 2016;51(1):123-38.
Additional Infomation	LY-2624803 is under investigation in clinical trial NCT01236105 (Effect of Activated Charcoal and Time of Dose on the Pharmacokinetics of LY2624803 in Healthy Subject).

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~112.75 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.64 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 2: ≥ 2.5 mg/mL (5.64 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	2.2549 mL	11.2747 mL	22.5494 mL
	5 mM	0.4510 mL	2.2549 mL	4.5099 mL
	10 mM	0.2255 mL	1.1275 mL	2.2549 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.