BMY 14802 is an antagonist of sigma-1 receptor (σ1R) and an agonist of serotonin 1A receptor (5-HT 1A Receptor) and adrenergic receptor alpha-1 (α-1 adrenergic receptor). BMY 14802 inhibits abnormal involuntary movements (AIM) and downregulates the expression of AIM in rat PD/Parkinson's disease model.

Physicochemical Properties

Molecular Formula	C18H22F2N4O
Molecular Weight	348.39
Exact Mass	348.176
CAS #	105565-56-8
PubChem CID	108046
Appearance	White to off-white solid powder
LogP	2.393
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	25
Complexity	379
Defined Atom Stereocenter Count	0
InChi Key	ZXUYYZPJUGQHLQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
Chemical Name	1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
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	Sigma 1 Receptor 5-HT1A Receptor α1-adrenergic receptor
ln Vivo	In rat PD models, BMY 14802 (15 mg/kg; i.p.; single dosage) dramatically inhibits AIM and decreases dyskinesias, particularly in the first hour following therapy [1][2].
References	[1]. The sigma-1 antagonist BMY-14802 inhibits L-DOPA-induced abnormal involuntary movements by a WAY-100635-sensitive mechanism. Psychopharmacology (Berl). 2009 Jul;204(4):743-54. [2]. Sigma ligands, but not N-methyl-D-aspartate antagonists, reduce levodopa-induced dyskinesias. Neuroreport. 2008 Jan 8;19(1):111-5.
Additional Infomation	1-(4-fluorophenyl)-4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]-1-butanol is a N-arylpiperazine.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (143.52 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.67 mg/mL (4.79 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 16.7 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	2.8703 mL	14.3517 mL	28.7035 mL
	5 mM	0.5741 mL	2.8703 mL	5.7407 mL
	10 mM	0.2870 mL	1.4352 mL	2.8703 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.