DuP 734 is a sigma receptor antagonist. DuP 734 is a potent and specific ligand for sigma and 5-HT2 receptors with weak affinity for D2 receptors. DuP 734 displays antipsychotic activity without the side effects commonly seen with antipsychotics.

Physicochemical Properties

Molecular Formula	C17H23BRFNO
Molecular Weight	356.27
Exact Mass	355.095
CAS #	135135-87-4
PubChem CID	121967
Appearance	Off-white to light yellow solid powder
Boiling Point	384.5ºC at 760mmHg
Flash Point	186.4ºC
Vapour Pressure	4.07E-06mmHg at 25°C
LogP	4.416
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	21
Complexity	326
Defined Atom Stereocenter Count	0
InChi Key	QLZIAKMYJFJBKA-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H22FNO.BrH/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14;/h3-6,13-14H,1-2,7-12H2;1H
Chemical Name	2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone;hydrobromide
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.
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	Sigma receptor; 5-HT2 receptor; D2 receptor[1][2][3]
ln Vivo	DuP 734 is comparatively significantly weaker as an apomorphine antagonist (ED50=12 mg/kg, po) and potently inhibits mescaline-induced scratching (ED50=0.35 mg/kg, po) and aggressive activity (ED50=1.9 mg/kg, po) [1]. In vivo, the binding of [3H]DuP 734 and [3H](+)-SKF 10,047 to brain sigma receptors is potently antagonistic when DuP 734 is administered, with ID50 values of 0.02 and 0.07 mg/kg (0.07 and 0.25μmol/ kg), respectively[2]. DuP 734 is disposed of in mice, rats, beagle dogs, and cynomolgus monkeys by substantial steady-state volume of distribution (3.6 to 6.8 L/kg) and high total body systemic plasma clearance (46 to 87 mL/min/kg) after intravenous administration. There was a 50–83 minute range in the terminal elimination half-life. In rats and mice, the gastrointestinal absorption of an aqueous solution occurs very quickly; peak DuP 734 plasma concentrations are reached in 5 and 20 minutes after treatment, respectively. In 45 and 130 minutes, respectively, dogs and monkeys reach their maximal plasma concentrations. At dosages of 3.1 to 30.1 mg/kg, the absolute bioavailability in mice varies from 29 to 46%. When dosages of DuP 734 are increased from 12.5 to 50 mg/kg and 1 to 3 mg/kg in rats and dogs, respectively, the bioavailability improves from 4 to 10% and from 14 to 72%. In monkeys, the bioavailability of 9.3 mg/kg DuP 734 is 30.5%. In every animal species examined, the dose-dependent pharmacokinetics of DuP 734 are seen within constrained dose ranges[3].
References	[1]. DuP 734 [1-(cyclopropylmethyl)-4-(2'(4''-fluorophenyl)-2'- Oxoethyl)piperidine HBr] a Potential Antipsychotic Agent: Preclinical Behavioral Effects. J Pharmacol Exp Ther. 1992 Dec;263(3):1159-66. [2]. [3H]1-(cyclopropylmethyl)-4-(2-(4-fluorophenyl)-2-oxoethyl) Piperidine HBr (DuP 734). A Selective Ligand for Sigma Receptors in Mouse Brain in Vivo. J Pharmacol Exp Ther. 1993 Sep;266(3):1541-8. [3]. Dose and Species Dependent Pharmacokinetics of a Novel Sigma Receptor Antagonist, DuP 734. Res Commun Mol Pathol Pharmacol. 1995 Apr;88(1):3-20.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (701.71 mM) H2O: ≥ 100 mg/mL (280.69 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.84 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 (5.84 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 (5.84 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	2.8069 mL	14.0343 mL	28.0686 mL
	5 mM	0.5614 mL	2.8069 mL	5.6137 mL
	10 mM	0.2807 mL	1.4034 mL	2.8069 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.