Physicochemical Properties
| Molecular Formula | C24H28F4N2O9 |
| Molecular Weight | 564.480741500854 |
| Exact Mass | 564.173 |
| CAS # | 1807540-84-6 |
| PubChem CID | 91757746 |
| Appearance | Colorless to light yellow viscous liquid |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 686.7±55.0 °C at 760 mmHg |
| Flash Point | 369.1±31.5 °C |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.507 |
| LogP | 0.39 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 20 |
| Heavy Atom Count | 39 |
| Complexity | 803 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | FC1C(=CC(=C(C=1OC(CCOCCOCCOCCOCCNC(CCN1C(C=CC1=O)=O)=O)=O)F)F)F |
| InChi Key | LKZRDWRFDOPKGN-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C24H28F4N2O9/c25-16-15-17(26)23(28)24(22(16)27)39-21(34)4-7-35-9-11-37-13-14-38-12-10-36-8-5-29-18(31)3-6-30-19(32)1-2-20(30)33/h1-2,15H,3-14H2,(H,29,31) |
| Chemical Name | (2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| 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, 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
| ln Vitro | One ligand is for an E3 ubiquitin ligase, and the other is for the target protein; these two ligands are joined by a linker to form PROTACs. The intracellular ubiquitin-proteasome system is utilized by PROTACs to specifically destroy target proteins[1]. |
| References | [1]. An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~177.15 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.43 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 (4.43 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (4.43 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 25.0 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 | 1.7715 mL | 8.8577 mL | 17.7154 mL | |
| 5 mM | 0.3543 mL | 1.7715 mL | 3.5431 mL | |
| 10 mM | 0.1772 mL | 0.8858 mL | 1.7715 mL |