Physicochemical Properties
| CAS # | 2883813-32-7 |
| Appearance | Pale purple to purple solid powder |
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | Kd: 1.5 μM (Mpro C145A protein) and 2.3 μM (PLpro C111A protein)[1]. IC50: 0.12 μM (Mpro protease) and 0.99 μM (PLpro protease)[1]. |
| ln Vitro | Viral nucleoprotein (NP) levels in Vero E6 cells infected with SARS-CoV-2 were significantly reduced by 5 μM LY1. With 15 μM LY1, viral RdRP RNA levels were found to be reduced by 99.99%[1]. LY1 has an IC50 value of 8.8 μM against cathepsin B and 2.2 μM against cathepsin L, respectively[1]. |
| ln Vivo | Rats were given oral doses of LY1 up to 300 mg/kg for four weeks, after which they recovered for a further four weeks. No appreciable changes in body weight or food consumption were noted in either group during the eight-week toxicity investigation [1]. |
| References |
[1]. Structure-Based Design of a Dual-Targeted Covalent Inhibitor Against Papain-like and Main Proteases of SARS-CoV-2. J Med Chem. 2022 Dec 22;65(24):16252-16267. |
Solubility Data
| Solubility (In Vitro) | DMSO : 50 mg/mL (116.03 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.80 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 (5.80 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. (Please use freshly prepared in vivo formulations for optimal results.) |