Physicochemical Properties
| Molecular Formula | C17H22N2O9 |
| Molecular Weight | 398.364585399628 |
| Exact Mass | 398.132 |
| CAS # | 1537892-36-6 |
| PubChem CID | 77078335 |
| Appearance | Colorless to light yellow liquid |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 552.4±60.0 °C at 760 mmHg |
| Flash Point | 287.9±32.9 °C |
| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
| Index of Refraction | 1.555 |
| LogP | -2.61 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 28 |
| Complexity | 613 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O(CCOCCOCCC(=O)ON1C(CCC1=O)=O)CCN1C(C=CC1=O)=O |
| InChi Key | IIXXEVQHRSMNOB-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C17H22N2O9/c20-13-1-2-14(21)18(13)6-8-26-10-12-27-11-9-25-7-5-17(24)28-19-15(22)3-4-16(19)23/h1-2H,3-12H2 |
| Chemical Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]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 | Thiol-bearing ligands can be coupled to amine-functionalized matrices using the heterobifunctional cross-linker maleimide-PEG-NHS ester [1]. |
| References |
[1]. Immobilization of hydrophobic peptidic ligands to hydrophilic chromatographic matrix: a preconcentration approach. Anal Biochem. 2012 Apr 15;423(2):202-9. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~251.03 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.28 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 (6.28 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5103 mL | 12.5515 mL | 25.1029 mL | |
| 5 mM | 0.5021 mL | 2.5103 mL | 5.0206 mL | |
| 10 mM | 0.2510 mL | 1.2551 mL | 2.5103 mL |