Physicochemical Properties
Molecular Formula | C12H9NO5 |
Molecular Weight | 247.20 |
Exact Mass | 247.048 |
CAS # | 60444-78-2 |
PubChem CID | 4126130 |
Appearance | White to off-white solid powder |
Density | 1.4±0.1 g/cm3 |
Boiling Point | 425.4±47.0 °C at 760 mmHg |
Melting Point | 163ºC |
Flash Point | 211.1±29.3 °C |
Vapour Pressure | 0.0±1.0 mmHg at 25°C |
Index of Refraction | 1.606 |
LogP | -0.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Heavy Atom Count | 18 |
Complexity | 368 |
Defined Atom Stereocenter Count | 0 |
InChi Key | VHYRHFNOWKMCHQ-UHFFFAOYSA-N |
InChi Code | InChI=1S/C12H9NO5/c14-7-8-1-3-9(4-2-8)12(17)18-13-10(15)5-6-11(13)16/h1-4,7H,5-6H2 |
Chemical Name | (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate |
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
Targets | Non-cleavable Linker |
Solubility Data
Solubility (In Vitro) | DMSO : 100 mg/mL (404.53 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.11 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 (10.11 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (10.11 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 | 4.0453 mL | 20.2265 mL | 40.4531 mL | |
5 mM | 0.8091 mL | 4.0453 mL | 8.0906 mL | |
10 mM | 0.4045 mL | 2.0227 mL | 4.0453 mL |