DS20362725 is an estrogen-related receptor alpha (ERRα) agonist. DS20362725 inhibits the binding between the receptor interacting protein 140 (RIP140) corepressor peptide (10 nM) and the GST-ERRα ligand-binding domain (LBD; 1.2 μM) with IC50 of 0.6 μM. DS20362725 may be utilized to study metabolic disorders such as type 2 diabetes.

Physicochemical Properties

Molecular Formula	C19H22N2O2
Molecular Weight	310.39
Exact Mass	310.168
CAS #	2735803-20-8
PubChem CID	162641550
Appearance	Off-white to pink solid powder
LogP	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	23
Complexity	409
Defined Atom Stereocenter Count	0
SMILES	C1(O)=CC=C(OC2C=C3N(C)C(C)=NC3=CC=2)C=C1C(C)(C)C
InChi Key	LQWRSCHPPDJXLC-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H22N2O2/c1-12-20-16-8-6-14(11-17(16)21(12)5)23-13-7-9-18(22)15(10-13)19(2,3)4/h6-11,22H,1-5H3
Chemical Name	2-tert-butyl-4-(2,3-dimethylbenzimidazol-5-yl)oxyphenol
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

Targets	ERRα
ln Vitro	DS20362725 (compound 3d; 0.002, 0.006, 0.017, 0.051, 0.015, 0.046, 1.4, 4.2, 12.5 μg/mL; 18 h) stimulates the transcriptional activity of full-length ERRα in MG63 cells with an EC50 of 1.1 μM[1].
References	[1]. Discovery of a Novel Class of ERRα Agonists. ACS Med Chem Lett. 2021 Apr 21;12(5):817-821.

Solubility Data

Solubility (In Vitro)

DMSO: 10 mg/mL (32.22 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (3.22 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (3.22 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 10.0 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	3.2218 mL	16.1088 mL	32.2175 mL
	5 mM	0.6444 mL	3.2218 mL	6.4435 mL
	10 mM	0.3222 mL	1.6109 mL	3.2218 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.