GPR52 antagonist-1 (Compound 43) is a GPR52 antagonist (inhibitor) with IC50 of 0.63 μM. GPR52 antagonist-1 reduces mutant huntingtin protein levels and promotes survival of primary striatal neurons in mice by targeting GPR52.

Physicochemical Properties

Molecular Formula	C15H14OS
Molecular Weight	242.336062908173
Exact Mass	242.076
CAS #	1239987-91-7
PubChem CID	156588927
Appearance	White to light yellow solid powder
LogP	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	17
Complexity	266
Defined Atom Stereocenter Count	0
SMILES	C1=CC=C(C=C1)CC/C=C/C(=O)C2=CC=CS2
InChi Key	XUIAIACHIPOOHR-BJMVGYQFSA-N
InChi Code	InChI=1S/C15H14OS/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-3,5-8,10-12H,4,9H2/b10-5+
Chemical Name	(E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one
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 Vivo	HdhQ140 mice that receive GPR52 antagonist-1 (compound 43) (5 mg/kg; i.p.; once daily for 4 weeks) exhibit a reduction in mHTT levels as well as a rescue of HD-related phenotypes [1].
References	[1]. Wang C, et al. GPR52 Antagonist Reduces Huntingtin Levels and Ameliorates Huntington's Disease-Related Phenotypes. J Med Chem. 2021 Jan 28;64(2):941-957.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~1031.61 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (8.58 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 20.8 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: ≥ 2.08 mg/mL (8.58 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 20.8 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: ≥ 2.08 mg/mL (8.58 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 20.8 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	4.1264 mL	20.6322 mL	41.2643 mL
	5 mM	0.8253 mL	4.1264 mL	8.2529 mL
	10 mM	0.4126 mL	2.0632 mL	4.1264 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.