ERRα antagonist-1 (Compound A) is a selective, high-affinity estrogen-related receptor α (ERRα) antagonist. ERRα antagonist-1 inhibits the interaction of ERRα with proliferator-activated receptor gamma coactivator 1α (PGC-1α) and PGC-1β with IC50s of 170 nM and 180 nM, respectively. ERRα antagonist-1 does not inhibit the interaction of ERRβ or ERRγ with PGC-1α and PGC-1β coactivators, nor the interaction of ERα or ERβ with PGC-1α or SRC-1.

Physicochemical Properties

Molecular Formula	C21H19N3S2
Molecular Weight	377.53
Exact Mass	377.102
CAS #	1072145-33-5
PubChem CID	25015530
Appearance	White to off-white solid powder
LogP	4.14
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	26
Complexity	588
Defined Atom Stereocenter Count	0
InChi Key	OWLQZFQCFCNPKV-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H19N3S2/c1-3-7-17-15(5-1)9-10-16-6-2-4-8-18(16)19(17)23-21-24(12-14-26-21)20-22-11-13-25-20/h1-10,19H,11-14H2
Chemical Name	3-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-1,3-thiazolidin-2-imine
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	ERRα
References	[1]. Identification of Small Molecule Estrogen-Related.

Solubility Data

Solubility (In Vitro)

DMSO: 25 mg/mL (66.22 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (6.62 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6488 mL	13.2440 mL	26.4880 mL
	5 mM	0.5298 mL	2.6488 mL	5.2976 mL
	10 mM	0.2649 mL	1.3244 mL	2.6488 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.