Physicochemical Properties
| Molecular Formula | C41H47N7O10 |
| Molecular Weight | 797.852790117264 |
| CAS # | 2810895-93-1 |
| PubChem CID | 169688179 |
| Appearance | Light yellow to yellow solid powder |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 16 |
| Heavy Atom Count | 58 |
| Complexity | 1660 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | O([C@@]1(C(=O)OCC2C(N3CC4C(=C5C=C(O)C=CC5=NC=4C3=CC1=2)CC)=O)CC)C(=O)OCC1C=CC(NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@@H](N)C(C)C)=CC=1 |
| 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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]. EphA2 bicyclic peptide ligand and conjugate thereof. World Intellectual Property Organization, WO2023061482 A1. 2023-04-20. |
Solubility Data
| Solubility (In Vitro) | DMSO: 150 mg/mL (188.01 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.75 mg/mL (4.70 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 37.5 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.2534 mL | 6.2668 mL | 12.5337 mL | |
| 5 mM | 0.2507 mL | 1.2534 mL | 2.5067 mL | |
| 10 mM | 0.1253 mL | 0.6267 mL | 1.2534 mL |