Physicochemical Properties
| Molecular Formula | C23H39NO12 |
| Molecular Weight | 521.555268526077 |
| Exact Mass | 521.247 |
| CAS # | 1818294-46-0 |
| PubChem CID | 77078332 |
| Appearance | Colorless to light yellow liquid（Density：1.213 g/cm3） |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 634.6±55.0 °C at 760 mmHg |
| Flash Point | 337.6±31.5 °C |
| Vapour Pressure | 0.0±4.0 mmHg at 25°C |
| Index of Refraction | 1.496 |
| LogP | -2.88 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 27 |
| Heavy Atom Count | 36 |
| Complexity | 598 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O(CCOCCOCCOCCOCCOCCOCCOCCC(=O)O)CCN1C(C=CC1=O)=O |
| InChi Key | KLZPPWOSICDUKQ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H39NO12/c25-21-1-2-22(26)24(21)4-6-30-8-10-32-12-14-34-16-18-36-20-19-35-17-15-33-13-11-31-9-7-29-5-3-23(27)28/h1-2H,3-20H2,(H,27,28) |
| Chemical Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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. PROTACs target and selectively degrade target proteins by taking advantage of the intracellular ubiquitin-proteasome system. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~191.73 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.79 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 (4.79 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 (4.79 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 | 1.9173 mL | 9.5866 mL | 19.1732 mL | |
| 5 mM | 0.3835 mL | 1.9173 mL | 3.8346 mL | |
| 10 mM | 0.1917 mL | 0.9587 mL | 1.9173 mL |