Physicochemical Properties
| Molecular Formula | C16H13F5O3 |
| Exact Mass | 348.078 |
| CAS # | 886209-60-5 |
| PubChem CID | 59511122 |
| Appearance | White to off-white ointment |
| LogP | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 24 |
| Complexity | 486 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | FTKRNGMQMZGSDF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H13F5O3/c17-11-12(18)14(20)16(15(21)13(11)19)24-10(22)8-23-9-6-4-2-1-3-5-7-9/h9H,1-4,6,8H2 |
| Chemical Name | (2,3,4,5,6-pentafluorophenyl) 2-cyclooct-2-yn-1-yloxyacetate |
| 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
| Targets | Cleavable Linker |
| ln Vitro | ADCs are made up of an antibody and an ADC cytotoxin that are joined together by an ADC linker. |
| References |
[1]. Anti-PSMA Antibodies Conjugated to Nuclear Receptor Ligand Polypeptides. 20150152187A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (287.14 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.18 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 (7.18 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 (7.18 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.) |