Physicochemical Properties
| Molecular Formula | C32H35N3O6 |
| Molecular Weight | 557.636808633804 |
| Exact Mass | 557.252 |
| CAS # | 236426-37-2 |
| Related CAS # | Fmoc-Gly-Gly-D-Phe-OtBu |
| PubChem CID | 11103667 |
| Appearance | White to off-white solid powder |
| LogP | 4.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 13 |
| Heavy Atom Count | 41 |
| Complexity | 890 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| InChi Key | XQLGBXCTOOARCT-MHZLTWQESA-N |
| InChi Code | InChI=1S/C32H35N3O6/c1-32(2,3)41-30(38)27(17-21-11-5-4-6-12-21)35-29(37)19-33-28(36)18-34-31(39)40-20-26-24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h4-16,26-27H,17-20H2,1-3H3,(H,33,36)(H,34,39)(H,35,37)/t27-/m0/s1 |
| Chemical Name | tert-butyl (2S)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoate |
| 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. |
| 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 |
| References | [1]. Bak A, et al. Synthesis and evaluation of the physicochemical properties of esterase-sensitive cyclic prodrugs of opioid peptides using an (acyloxy)alkoxy linker. J Pept Res. 1999 Apr;53(4):393-402. |
Solubility Data
| Solubility (In Vitro) | DMSO : 200 mg/mL (358.65 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (8.97 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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: ≥ 5 mg/mL (8.97 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 50.0 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 | 1.7933 mL | 8.9664 mL | 17.9327 mL | |
| 5 mM | 0.3587 mL | 1.7933 mL | 3.5865 mL | |
| 10 mM | 0.1793 mL | 0.8966 mL | 1.7933 mL |