Puliginurad (YL-90148) is a novel and potent urate transporter (URAT) inhibitor with the potential to be used for hyperuricemia and gout treatment.

Physicochemical Properties

Molecular Formula	C19H16N2O2S
Molecular Weight	336.407543182373
Exact Mass	336.093
CAS #	2013582-27-7
PubChem CID	122582049
Appearance	White to off-white solid powder
LogP	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	24
Complexity	519
Defined Atom Stereocenter Count	0
SMILES	C(C1SC2=CN=CC(C3C=CC(C#N)=CC=3)=C2C=1)C(C)(C)C(=O)O
InChi Key	QWCZAFGDQBUAFT-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H16N2O2S/c1-19(2,18(22)23)8-14-7-15-16(10-21-11-17(15)24-14)13-5-3-12(9-20)4-6-13/h3-7,10-11H,8H2,1-2H3,(H,22,23)
Chemical Name	3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid
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 (e.g. under nitrogen), avoid exposure to moisture and light.
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]. WHO Drug Information. International Nonproprietary Names for Pharmaceutical.

Solubility Data

Solubility (In Vitro)

DMSO : ~130 mg/mL (~386.43 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 3.25 mg/mL (9.66 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 32.5 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: 3.25 mg/mL (9.66 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 32.5 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: 3.25 mg/mL (9.66 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 32.5 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	2.9726 mL	14.8628 mL	29.7256 mL
	5 mM	0.5945 mL	2.9726 mL	5.9451 mL
	10 mM	0.2973 mL	1.4863 mL	2.9726 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.