Physicochemical Properties
| Molecular Formula | C14H12BRNO2S |
| Molecular Weight | 338.22 |
| Exact Mass | 336.977 |
| CAS # | 1638327-48-6 |
| PubChem CID | 86294127 |
| Appearance | White to off-white solid powder |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 528.9±40.0 °C at 760 mmHg |
| Flash Point | 273.7±27.3 °C |
| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
| Index of Refraction | 1.730 |
| LogP | 3.12 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 19 |
| Complexity | 361 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | QGBWIYLNOBYNDL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H12BrNO2S/c15-9-2-3-11-10(8-9)12(4-7-16-11)19-14(13(17)18)5-1-6-14/h2-4,7-8H,1,5-6H2,(H,17,18) |
| Chemical Name | 1-(6-bromoquinolin-4-yl)sulfanylcyclobutane-1-carboxylic 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 |
| 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 | URAT1[1] |
| ln Vitro | Ruzinurad is an extremely effective inhibitor of URATl [1]. |
| References |
[1]. WO2020088641. |
Solubility Data
| Solubility (In Vitro) | DMSO: 33.33 mg/mL (98.55 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (2.96 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 10.0 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 | 2.9567 mL | 14.7833 mL | 29.5666 mL | |
| 5 mM | 0.5913 mL | 2.9567 mL | 5.9133 mL | |
| 10 mM | 0.2957 mL | 1.4783 mL | 2.9567 mL |