Wf-516 is a 5-HT reuptake inhibitor and an antagonist of 5-HT1A and 5-HT2A receptors. The Kis of human 5-HT1A and 5-HT2A receptors are 5 nM and 40 nM respectively. Has antidepressant effects.

Physicochemical Properties

Molecular Formula	C25H25CL2N3O4
Molecular Weight	502.389704465866
Exact Mass	501.122
CAS #	310392-94-0
Related CAS #	Wf-516 hydrochloride;310392-93-9
PubChem CID	9806065
Appearance	Typically exists as solid at room temperature
Density	1.3±0.1 g/cm3
Boiling Point	683.7±65.0 °C at 760 mmHg
Flash Point	367.3±34.3 °C
Vapour Pressure	0.0±2.2 mmHg at 25°C
Index of Refraction	1.616
LogP	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	34
Complexity	656
Defined Atom Stereocenter Count	1
SMILES	O[C@H](COC1=C2C=C(C3=NN=C(C)O3)OC2=CC=C1)CN(CC4)CCC4C5=CC=C(Cl)C(Cl)=C5
InChi Key	XIYDIPLATGRHEC-SFHVURJKSA-N
InChi Code	InChI=1S/C25H25Cl2N3O4/c1-15-28-29-25(33-15)24-12-19-22(3-2-4-23(19)34-24)32-14-18(31)13-30-9-7-16(8-10-30)17-5-6-20(26)21(27)11-17/h2-6,11-12,16,18,31H,7-10,13-14H2,1H3/t18-/m0/s1
Chemical Name	(2S)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-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

ln Vitro	Wf-516 has a high affinity (Ki of 8.1 nM and 7.9 nM, respectively) for 5-HT1A receptors in the rat hippocampal and raphe nucleus [2].
ln Vivo	Wf-516 (0.5 mg/kg, i.v.) dramatically inhibited the inhibitory impact of 8-OHDPAT, a 5-HT autoreceptor agonist, but had no effect on the firing activity of 5-HT neurons. As much as 70%. In comparison to the control group (ED50 = 7.5 ± 1.2 μg/kg), a full dose-response association was seen between the suppression of DRN discharge activity and various dosages of LSD. The effect of microiontophoretic 5-HT was extended and attained statistical significance at 7.5 mg/kg following continuous intravenous injection of 1.25 mg/kg Wf-516 (up to 10 mg/kg). While the RT50 value increased by 75% at the maximum dose of Wf-516, 10 mg/kg, it increased by 53% at this level [1]. These 5,7-DHT-treated rats showed a substantial decrease in hippocampal BPND when 30 mg/kg Wf-516 was administered orally. However, no additional BPND reduction was seen in the raphe nucleus. Wf-516's oral ED50 values in the raphe nucleus and hippocampal regions are 4.2 mg/kg and 5.3 mg/kg, respectively[2].
References	[1]. In vivo electrophysiological assessment of the putative antidepressant Wf-516 in the rat raphe dorsalis, locus coeruleus and hippocampus. Naunyn Schmiedebergs Arch Pharmacol. 2008 Jan;376(5):351-61. Epub 2007 Nov 30. [2]. Presynaptic selectivity of a ligand for serotonin 1A receptors revealed by in vivo PET assays of rat brain. PLoS One. 2012;7(8):e42589.
Additional Infomation	See also: Min-117 (annotation moved to).

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.9905 mL	9.9524 mL	19.9049 mL
	5 mM	0.3981 mL	1.9905 mL	3.9810 mL
	10 mM	0.1990 mL	0.9952 mL	1.9905 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.