Flopropione is a spasmolytic or antispasmodic agent, acting as a 5-HT1A receptor antagonist and also a catechol-o-methyltransferase (COMT) inhibitor. Flopropione does not exhibit Lorentzian relaxation below its T(g) temperature. When the temperature drops below its T(g), flopropione exhibits greater molecular mobility than nifedipine. The entire temperature range of flopropione exhibits an Arrhenius temperature dependence, and the extrapolation of tau (beta) measured above T (g) by dielectric relaxation agreed with tau (beta) measured below T (g) by TAM/MDSC.

Physicochemical Properties

Molecular Formula	C9H10O4
Molecular Weight	182.17
Exact Mass	182.058
Elemental Analysis	C, 59.34; H, 5.53; O, 35.13
CAS #	2295-58-1
Related CAS #	2295-58-1
PubChem CID	3362
Appearance	Yellow to orange solid powder
Density	1.372g/cm3
Boiling Point	341.7ºC at 760mmHg
Melting Point	177°C
Flash Point	174.7ºC
Vapour Pressure	4E-05mmHg at 25°C
Index of Refraction	1.618
LogP	1.396
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Complexity	180
Defined Atom Stereocenter Count	0
SMILES	O([H])C1C([H])=C(C([H])=C(C=1C(C([H])([H])C([H])([H])[H])=O)O[H])O[H]
InChi Key	PTHLEKANMPKYDB-UHFFFAOYSA-N
InChi Code	InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3
Chemical Name	1-(2,4,6-trihydroxyphenyl)propan-1-one
Synonyms	Argobyl; Chlonarin; Cospanon; Ecapron; Flopion; Flopropion; Gallepronin; Gasstenon; Labroda
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	COMT; 5-HT1A Receptor
ln Vitro	In vitro activity: Flopropione does not exhibit Lorentzian relaxation below its T(g) temperature. When the temperature drops below its T(g), flopropione exhibits greater molecular mobility than nifedipine. The entire temperature range of flopropione exhibits an Arrhenius temperature dependence, and the extrapolation of tau (beta) measured above T (g) by dielectric relaxation agreed with tau (beta) measured below T (g) by TAM/MDSC.
ln Vivo	Retrospective comparisons with patients whose passage was spontaneous have been made to assess the impact of flopropione, an antispasmodic medication, on the rate of calculus passage from the urinary tract. After administration, flopropine has been demonstrated to outperform the control in cumulative passage rate with statistical significance. It has been demonstrated that flopropine has a spasmolytic effect on the smooth muscle of the pancreatobiliary and urinary systems in addition to the gastrointestinal tract[3].
Animal Protocol
References	[1]. High-throughput luminescent reporter of insulin secretion for discovering regulators of pancreatic Beta-cell function. Cell Metab. 2015 Jan 6;21(1):126-37. [2]. Modulation of neurogenesis using d-cycloserine combinations. 2010-08-26. PAT - US2010216805. [3]. Facilitation of expulsion of ureteral stones by addition of α1-blockers to conservative therapy. Scand J Urol Nephrol. 2010 Dec;44(6):420-4.
Additional Infomation	Flopropione is an organic molecular entity.

Solubility Data

Solubility (In Vitro)

DMSO: 36~150 mg/mL (197.6~823.4 mM) Water: <1 mg/mL Ethanol: ~36 mg/mL (~197.6 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (13.72 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 25.0 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: ≥ 2.5 mg/mL (13.72 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 25.0 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: ≥ 2.5 mg/mL (13.72 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 25.0 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	5.4894 mL	27.4469 mL	54.8938 mL
	5 mM	1.0979 mL	5.4894 mL	10.9788 mL
	10 mM	0.5489 mL	2.7447 mL	5.4894 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.