Physicochemical Properties
| Molecular Formula | C9H20N2O3 |
| Molecular Weight | 204.2667 |
| Exact Mass | 204.147 |
| CAS # | 127828-22-2 |
| PubChem CID | 12106198 |
| Appearance | Colorless to light yellow viscous liquid |
| Density | 1.024g/cm3 |
| Boiling Point | 321.128ºC at 760 mmHg |
| Flash Point | 148.013ºC |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.457 |
| LogP | 1.391 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 14 |
| Complexity | 166 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O(C(N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])N([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] |
| InChi Key | VULKFBHOEKTQSF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7,10H2,1-3H3,(H,11,12) |
| Chemical Name | tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate |
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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]. Chemoselective Synthesis of Lenalidomide-Based PROTAC Library Using Alkylation Reaction. Org Lett. 2019 May 17;21(10):3838-3841. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~489.55 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.24 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 (12.24 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 (12.24 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 | 4.8955 mL | 24.4774 mL | 48.9548 mL | |
| 5 mM | 0.9791 mL | 4.8955 mL | 9.7910 mL | |
| 10 mM | 0.4895 mL | 2.4477 mL | 4.8955 mL |