3,4-Methylenedioxy PV9 HCl is a cathinone analogue. 3,4-Methylenedioxy PV9 HCl is toxic to BEAS-2B, human aortic endothelial cells (HAE), HASM, SK-N-SH, A172, HepG2, MKN45 and DLD1 cells (LC50=12.8-67.5 μM).

Physicochemical Properties

Molecular Formula	C19H28CLNO3
Molecular Weight	353.883524894714
Exact Mass	353.175
CAS #	24646-40-0
PubChem CID	132989256
Appearance	Typically exists as solid at room temperature
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	24
Complexity	381
Defined Atom Stereocenter Count	0
SMILES	C(N1CCCC1)(CCCCCC)C(C1C=CC2OCOC=2C=1)=O.Cl
InChi Key	PYKXCYXCXKRYNZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H27NO3.ClH/c1-2-3-4-5-8-16(20-11-6-7-12-20)19(21)15-9-10-17-18(13-15)23-14-22-17;/h9-10,13,16H,2-8,11-12,14H2,1H3;1H
Chemical Name	1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yloctan-1-one;hydrochloride
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, 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

References

[1]. Toshiyuki Matsunaga, et al. Structure-activity relationship for toxicity of α-pyrrolidinophenones in human aortic endothelial cells.

Solubility Data

Solubility (In Vitro)

DMSO: 25 mg/mL (70.65 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (3.53 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 (3.53 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 (3.53 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	2.8258 mL	14.1291 mL	28.2582 mL
	5 mM	0.5652 mL	2.8258 mL	5.6516 mL
	10 mM	0.2826 mL	1.4129 mL	2.8258 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.