Physicochemical Properties
| Molecular Formula | C24H31N3O10 |
| Molecular Weight | 521.5170 |
| Exact Mass | 521.2 |
| CAS # | 2138440-81-8 |
| PubChem CID | 134589785 |
| Appearance | Light yellow to yellow viscous liquid |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 773.6±60.0 °C at 760 mmHg |
| Flash Point | 421.6±32.9 °C |
| Vapour Pressure | 0.0±2.8 mmHg at 25°C |
| Index of Refraction | 1.589 |
| LogP | -1.75 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 17 |
| Heavy Atom Count | 37 |
| Complexity | 823 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C1C([H])(C([H])([H])C([H])([H])C(N1[H])=O)N1C(C2C([H])=C([H])C([H])=C(C=2C1=O)N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])C(=O)O[H])=O |
| 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 |
| 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
| References |
[1]. Compounds that induce degradation of anti-apoptotic bcl-2 family proteins and the uses thereof. Patent WO2017184995A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~191.75 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.79 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 (4.79 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 | 1.9175 mL | 9.5874 mL | 19.1747 mL | |
| 5 mM | 0.3835 mL | 1.9175 mL | 3.8349 mL | |
| 10 mM | 0.1917 mL | 0.9587 mL | 1.9175 mL |