Ibuprofen piconol (U75630), the pyridyl ester of ibuprofen, is a potent non-steroidal, anti-inflammatory (NSAID) drug marketed in Japan for the topical relief of primary thermal burns and sunburns.

Physicochemical Properties

Molecular Formula	C19H23NO2
Molecular Weight	297.3914
Exact Mass	297.172
CAS #	64622-45-3
PubChem CID	3673
Appearance	Typically exists as solid at room temperature
LogP	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	22
Complexity	334
Defined Atom Stereocenter Count	0
InChi Key	ACEWLPOYLGNNHV-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3
Chemical Name	2-Pyridylmethyl 2-(4-isobutylphenyl)propionate
Synonyms	U-75630; U 75630; U75630; Ibuprofen piconol
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	Ibuprofen pyridinol is a liquid that exhibits no surface activity and partitions strongly into the oil phase. It is somewhat hygroscopic and chemically stable. It is miscible with less polar organic compounds, except silicone oils, and has extremely limited solubility in water (16.5 ppm), moderate solubility in glycerol (16.4 mg/mL), and both [1]. The hydrolysis half-life (concentration range: 50 to 200 μg/mL) remained unchanged when the starting concentration of ibuprofen pyridinol was changed. The hydrolysis half-life can change when anticoagulants are used. The half-lives of plasma (t1/2=2.5 hours) and citrate (t1/2=8.0 hours), heparin (t1/2 = 15.5 hours), and EDTA (t1/2 = 161.8 hours) vary depending on whether anticoagulant is present or not. Red blood cells absorb very little ibuprofen pyridinol, ranging from 0.4% to 4.1% of the amounts employed in research [2].
ln Vivo	Only ibuprofen and its metabolites were found in plasma and urine after ibuprofen piconol was applied topically. Pyridol appears to be rapidly converted by the body to ibuprofen [2].
References	[1]. Pesheck CV, et al. Preformulation characterization of topical Ibuprofen Piconol. Drug Development and Industrial Pharmacy Vol. 19 , Iss. 15,1993 [2]. Christensen JM, et al. Ibuprofen piconol hydrolysis in vitro in plasma, whole blood, and serum using different anticoagulants. J Pharm Sci. 1991 Jan;80(1):29-31.
Additional Infomation	Ibuprofen piconol is an organic molecular entity.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 50 mg/mL (~168.13 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.41 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 (8.41 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 (8.41 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	3.3626 mL	16.8129 mL	33.6259 mL
	5 mM	0.6725 mL	3.3626 mL	6.7252 mL
	10 mM	0.3363 mL	1.6813 mL	3.3626 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.