Physicochemical Properties
| Molecular Formula | C19H23CLN4O7 |
| Molecular Weight | 454.861523866653 |
| Exact Mass | 454.125 |
| CAS # | 2204226-02-6 |
| PubChem CID | 145874884 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 31 |
| Complexity | 713 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | Cl.O=C1C(CCC(N1)=O)N1C(C2C=CC=C(C=2C1=O)OCC(NCCOCCN)=O)=O |
| InChi Key | IPEHZYDONNHUEO-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H22N4O7.ClH/c20-6-8-29-9-7-21-15(25)10-30-13-3-1-2-11-16(13)19(28)23(18(11)27)12-4-5-14(24)22-17(12)26;/h1-3,12H,4-10,20H2,(H,21,25)(H,22,24,26);1H |
| Chemical Name | N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride |
| Synonyms | ThalidomideOamidoPEGC2NH2 HCl; Thalidomide O amido PEG C2 NH2 HCl |
| 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, 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]. Demonstrating In-Cell Target Engagement Using a Pirin Protein Degradation Probe (CCT367766). J Med Chem. 2018 Feb 8;61(3):918-933. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~274.81 mM) H2O : ~100 mg/mL (~219.85 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.57 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 20.8 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: ≥ 2.08 mg/mL (4.57 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 20.8 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: ≥ 2.08 mg/mL (4.57 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 25 mg/mL (54.96 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1985 mL | 10.9924 mL | 21.9848 mL | |
| 5 mM | 0.4397 mL | 2.1985 mL | 4.3970 mL | |
| 10 mM | 0.2198 mL | 1.0992 mL | 2.1985 mL |