Physicochemical Properties
| Molecular Formula | C13H20O6S |
| Molecular Weight | 304.3593 |
| Exact Mass | 304.098 |
| CAS # | 77544-68-4 |
| PubChem CID | 10913735 |
| Appearance | Typically exists as solid at room temperature |
| Density | 1.234±0.06 g/cm3 |
| Boiling Point | 460.0±35.0 °C |
| LogP | 1.806 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 20 |
| Complexity | 329 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])(=O)(=O)OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])O[H] |
| InChi Key | RSUCRUOTLCQWFX-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H20O6S/c1-12-2-4-13(5-3-12)20(15,16)19-11-10-18-9-8-17-7-6-14/h2-5,14H,6-11H2,1H3 |
| Chemical Name | 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate |
| 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 |
| 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. |
| References | [1]. Noël M, et al. Solid Supports for the Synthesis of 3'-Aminooxy Deoxy- or Ribo-oligonucleotides and Their 3'-Conjugation by Oxime Ligation.J Org Chem. 2019 Nov 15;84(22):14854-14860. |
Solubility Data
| Solubility (In Vitro) |
Ethanol : ~100 mg/mL (~328.56 mM) DMSO : ~100 mg/mL (~328.56 mM) H2O : ~10 mg/mL (~32.86 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 16.67 mg/mL (54.77 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2856 mL | 16.4279 mL | 32.8558 mL | |
| 5 mM | 0.6571 mL | 3.2856 mL | 6.5712 mL | |
| 10 mM | 0.3286 mL | 1.6428 mL | 3.2856 mL |