Physicochemical Properties
| Molecular Formula | C28H27N3O6 |
| Molecular Weight | 501.53 |
| Exact Mass | 501.189 |
| CAS # | 160036-44-2 |
| Related CAS # | Fmoc-Gly-Gly-Phe-OH;160036-44-2 |
| PubChem CID | 14598599 |
| Appearance | White to off-white solid powder |
| LogP | 3.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 37 |
| Complexity | 792 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C1C2=C(C3=C(C2COC(NCC(NCC(N[C@H](C(O)=O)CC2=CC=CC=C2)=O)=O)=O)C=CC=C3)C=CC=1 |
| InChi Key | UFGUUZVZUIXKQZ-DEOSSOPVSA-N |
| InChi Code | InChI=1S/C28H27N3O6/c32-25(29-16-26(33)31-24(27(34)35)14-18-8-2-1-3-9-18)15-30-28(36)37-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,29,32)(H,30,36)(H,31,33)(H,34,35)/t24-/m0/s1 |
| Chemical Name | (2S)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid |
| 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 |
| References |
[1]. Antibody-drug conjugate. Patent WO2014057687A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : 240 mg/mL (478.54 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6 mg/mL (11.96 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 60.0 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: ≥ 6 mg/mL (11.96 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 60.0 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: ≥ 6 mg/mL (11.96 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 60.0 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 | 1.9939 mL | 9.9695 mL | 19.9390 mL | |
| 5 mM | 0.3988 mL | 1.9939 mL | 3.9878 mL | |
| 10 mM | 0.1994 mL | 0.9969 mL | 1.9939 mL |