Physicochemical Properties
Molecular Formula | C53H62F3N9O8S3 |
Molecular Weight | 1106.30509901047 |
CAS # | 2769753-69-5 |
PubChem CID | 163196237 |
Appearance | White to off-white solid powder |
Hydrogen Bond Donor Count | 5 |
Hydrogen Bond Acceptor Count | 19 |
Rotatable Bond Count | 23 |
Heavy Atom Count | 76 |
Complexity | 1990 |
Defined Atom Stereocenter Count | 4 |
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. |
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 | LIMK2 |
References |
[1]. Mapping the Degradable Kinome Provides a Resource for Expedited Degrader Development. Cell. 2020;183(6):1714-1731.e10. |
Solubility Data
Solubility (In Vitro) |
DMSO : 200 mg/mL (180.78 mM) H2O : < 0.1 mg/mL |
Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (4.52 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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: 5 mg/mL (4.52 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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: ≥ 5 mg/mL (4.52 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 50.0 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 | 0.9039 mL | 4.5195 mL | 9.0391 mL | |
5 mM | 0.1808 mL | 0.9039 mL | 1.8078 mL | |
10 mM | 0.0904 mL | 0.4520 mL | 0.9039 mL |