URAT1 inhibitor 1 (1g) is an inhibitor (blocker/antagonist) of urate transporter 1 (URAT1) with IC50 of 32 nM. URAT1 inhibitor 1 is promising for the study of hyperuricemic gout.

Physicochemical Properties

Molecular Formula	C19H15BR2N5O2S2
Molecular Weight	569.29
Exact Mass	568.901
CAS #	2268720-62-1
PubChem CID	138454759
Appearance	Off-white to light yellow solid powder
LogP	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	30
Complexity	668
Defined Atom Stereocenter Count	0
SMILES	C1C=C(C2C(=CC=CC=2)C=1Br)CN1C(SCS(=O)(=O)NC2C=CC=NC=2)=NN=C1Br
InChi Key	KPBJDNPRRPXSOG-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H15Br2N5O2S2/c20-17-8-7-13(15-5-1-2-6-16(15)17)11-26-18(21)23-24-19(26)29-12-30(27,28)25-14-4-3-9-22-10-14/h1-10,25H,11-12H2
Chemical Name	1-[[5-bromo-4-[(4-bromonaphthalen-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylmethanesulfonamide
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

References

[1]. Synthesis, biological evaluation and 3D-QSAR studies of 1,2,4-triazole-5-substituted carboxylic acid bioisosteres as uric acid transporter 1 (URAT1) inhibitors for the treatment of hyperuricemia associated with gout. Bioorg Med Chem Lett. 20.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~219.57 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.65 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 20.8 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: ≥ 2.08 mg/mL (3.65 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 20.8 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	1.7566 mL	8.7829 mL	17.5657 mL
	5 mM	0.3513 mL	1.7566 mL	3.5131 mL
	10 mM	0.1757 mL	0.8783 mL	1.7566 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.