Physicochemical Properties
| Molecular Formula | C29H38N4O15 |
| Molecular Weight | 682.629828929901 |
| Exact Mass | 682.233 |
| CAS # | 2182601-73-4 |
| PubChem CID | 129627651 |
| Appearance | Colorless to light yellow liquid(Density:1.44 g/cm3) |
| LogP | -3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 25 |
| Heavy Atom Count | 48 |
| Complexity | 1150 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | JIFSJZLGALHIEZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C29H38N4O15/c34-21(7-10-31-22(35)1-2-23(31)36)30(11-15-45-19-17-43-13-8-28(41)47-32-24(37)3-4-25(32)38)12-16-46-20-18-44-14-9-29(42)48-33-26(39)5-6-27(33)40/h1-2H,3-20H2 |
| Chemical Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). 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. 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 (~146.49 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.66 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 (3.66 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 | 1.4649 mL | 7.3246 mL | 14.6492 mL | |
| 5 mM | 0.2930 mL | 1.4649 mL | 2.9298 mL | |
| 10 mM | 0.1465 mL | 0.7325 mL | 1.4649 mL |