Physicochemical Properties
| Molecular Formula | C23H46O11 |
| Molecular Weight | 498.6047 |
| Exact Mass | 498.304 |
| CAS # | 1334177-84-2 |
| PubChem CID | 51340944 |
| Appearance | Colorless to light yellow liquid（Density：1.083 g/cm3） |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 549.5±45.0 °C at 760 mmHg |
| Flash Point | 168.6±22.2 °C |
| Vapour Pressure | 0.0±3.4 mmHg at 25°C |
| Index of Refraction | 1.459 |
| LogP | -1.81 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 28 |
| Heavy Atom Count | 34 |
| Complexity | 430 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O(C(C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])O[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] |
| InChi Key | RBRDLMWBCQQRIQ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H46O11/c1-23(2,3)34-22(25)4-6-26-8-10-28-12-14-30-16-18-32-20-21-33-19-17-31-15-13-29-11-9-27-7-5-24/h24H,4-21H2,1-3H3 |
| Chemical Name | tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]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 (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
| 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 : ~200 mg/mL (~401.12 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (10.03 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 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 (10.03 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 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 (10.03 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 | 2.0056 mL | 10.0281 mL | 20.0562 mL | |
| 5 mM | 0.4011 mL | 2.0056 mL | 4.0112 mL | |
| 10 mM | 0.2006 mL | 1.0028 mL | 2.0056 mL |