Sonepiprazole (PNU-101387G) is a selective D4 dopamine antagonist (inhibitor) with Ki of 3.6, 10.1, 5147 and 7430 nM for rD4 dopamine, hD4.2 dopamine, rD2 dopamine and histamine H1 receptors, respectively.

Physicochemical Properties

Molecular Formula	C21H27N3O3S
Molecular Weight	401.52
Exact Mass	401.177
CAS #	170858-33-0
PubChem CID	133079
Appearance	Typically exists as solid at room temperature
Vapour Pressure	5.27E-15mmHg at 25°C
LogP	3.944
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	28
Complexity	593
Defined Atom Stereocenter Count	1
SMILES	C1=CC=C2C(=C1)CCO[C@H]2CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N
InChi Key	WNUQCGWXPNGORO-NRFANRHFSA-N
InChi Code	InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1
Chemical Name	4-[4-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
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	rD2 Receptor 5147 nM (Ki) rD4 Receptor 3.6 nM (Ki) Histamine H1 Receptor 7430 nM (Ki)
ln Vitro	With more than 100-fold selectivity for the D4 receptor over other receptors, such as dopamine, serotonin, and adrenergic receptors, sonepiprazole demonstrates extremely selective binding to the D4 dopamine receptor[1].
References	[1]. Mark H Corrigan, et al. Effectiveness of the selective D4 antagonist sonepiprazole in schizophrenia: a placebo-controlled trial. Biol Psychiatry. 2004 Mar 1;55(5):445-51.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (311.32 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.18 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 (5.18 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 (5.18 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	2.4905 mL	12.4527 mL	24.9054 mL
	5 mM	0.4981 mL	2.4905 mL	4.9811 mL
	10 mM	0.2491 mL	1.2453 mL	2.4905 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.