R-PSOP is a highly efficient and selective non-peptide NMUR2 antagonist. R-PSOP binds to NMUR2 with Ki of 52 and 32 nM for human and rat NMUR2, respectively. R-PSOP moderately crosses the BBB (blood-brain barrier). R-PSOP may be utilized to study eating disorders, obesity, pain and stress-related disorders.

Physicochemical Properties

Molecular Formula	C20H22N4O2
Molecular Weight	350.41
Exact Mass	350.174
CAS #	1185189-97-2
PubChem CID	73755058
Appearance	White to off-white solid powder
Density	1.35±0.1 g/cm3(Predicted)
Boiling Point	461.7±45.0 °C(Predicted)
LogP	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	26
Complexity	530
Defined Atom Stereocenter Count	1
SMILES	C1CN2CCC1[C@@]3(C2)CC4=C(O3)N=CC(=C4)NC(=O)NC5=CC=CC=C5
InChi Key	BUOWEYLLAFLKCW-FQEVSTJZSA-N
InChi Code	InChI=1S/C20H22N4O2/c25-19(22-16-4-2-1-3-5-16)23-17-10-14-11-20(26-18(14)21-12-17)13-24-8-6-15(20)7-9-24/h1-5,10,12,15H,6-9,11,13H2,(H2,22,23,25)/t20-/m0/s1
Chemical Name	1-phenyl-3-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]urea
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 Vitro	According to Schild analyses, R-PSOP's functional Kb values at human and rat NMUR2 are 92 and 155 nM, respectively. These values relate to R-PSOP's effects on the intracellular calcium mobilization response that is triggered by NMU-25 in HEK293 cells that express either human or rat NMUR2[1]. R-PSOP significantly suppresses the reactions that human fetal kidney 293 cells expressing NMUR2 are induced by the peptide agonists NMU-25, NMU-23, and NMU-8[1]. When assessing phosphoinositide turnover or intracellular calcium mobilization in human embryonic kidney 293 cells expressing NMUR2, R-PSOP substantially suppresses the reactions produced by peptide agonists NMU-25, NMU-23, and NMU-8[1]. The phosphoinositide (PI) turnover response in human NMUR2-expressing cells stimulated by 10 nM NMU-25 (EC50 of 5 nM) is concentration-dependently inhibited by R-PSOP. The value of 86 nM is found to be the IC50[1].
ln Vivo	In a rat spinal reflex preparation, R-PSOP (10 μL 50 nmol; intrathecal injection; male Sprague-Dawley rats) attenuates NMU-23-evoked nociceptive responses[1].
References	[1]. Liu JJ, et al. Discovery and pharmacological characterization of a small-molecule antagonist at neuromedin U receptor NMUR2. J Pharmacol Exp Ther. 2009;330(1):268-275.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (285.38 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (3.57 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 12.5 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: ≥ 1.25 mg/mL (3.57 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 12.5 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: ≥ 1.25 mg/mL (3.57 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 12.5 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	2.8538 mL	14.2690 mL	28.5380 mL
	5 mM	0.5708 mL	2.8538 mL	5.7076 mL
	10 mM	0.2854 mL	1.4269 mL	2.8538 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.