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Physicochemical Properties
| Molecular Formula | C23H43NO9 |
| Molecular Weight | 477.588828325272 |
| Exact Mass | 477.293 |
| CAS # | 2378261-80-2 |
| PubChem CID | 146014471 |
| Appearance | Colorless to light yellow liquid |
| LogP | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 17 |
| Heavy Atom Count | 33 |
| Complexity | 529 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1CO)OCCOCCOCCOCCOC2CCCCO2 |
| InChi Key | ZKEBNPQGNDNRDY-MCOCGALXSA-N |
| InChi Code | InChI=1S/C23H43NO9/c1-23(2,3)33-22(26)24-17-20(16-19(24)18-25)30-14-12-28-10-8-27-9-11-29-13-15-32-21-6-4-5-7-31-21/h19-21,25H,4-18H2,1-3H3/t19-,20+,21?/m0/s1 |
| Chemical Name | tert-butyl (2S,4R)-2-(hydroxymethyl)-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate |
| 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 | In SW1573 cells, PROTAC K-Ras Degrader-1, a strong K-Ras degrader-based PROTAC, demonstrates ≥70% degradation efficacy[1]. A linker separates the two ligands that make up PROTACs; one ligand is for an E3 ubiquitin ligase, and the other is for the target protein. Target proteins are specifically broken down by PROTACs by taking advantage of the intracellular ubiquitin-proteasome system. |
| References |
[1]. MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE. WO2019195609A2. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~209.38 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.23 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 (5.23 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 (5.23 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 | 2.0938 mL | 10.4692 mL | 20.9385 mL | |
| 5 mM | 0.4188 mL | 2.0938 mL | 4.1877 mL | |
| 10 mM | 0.2094 mL | 1.0469 mL | 2.0938 mL |