Physicochemical Properties
| Molecular Formula | C33H35N5O9 |
| Molecular Weight | 645.66 |
| Exact Mass | 645.243 |
| CAS # | 2264011-98-3 |
| PubChem CID | 142536946 |
| Appearance | White to off-white solid powder |
| LogP | 2 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 17 |
| Heavy Atom Count | 47 |
| Complexity | 1080 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NCOCC(=O)O)NC(=O)CNC(=O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| InChi Key | JOZGCSZISBFCOO-MHZLTWQESA-N |
| InChi Code | InChI=1S/C33H35N5O9/c39-28(16-36-33(45)47-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26)34-17-30(41)38-27(14-21-8-2-1-3-9-21)32(44)35-15-29(40)37-20-46-19-31(42)43/h1-13,26-27H,14-20H2,(H,34,39)(H,35,44)(H,36,45)(H,37,40)(H,38,41)(H,42,43)/t27-/m0/s1 |
| Chemical Name | 2-[[[2-[[(2S)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]acetic 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 Note: Please store this product in a sealed and protected environment, 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
| References |
[1]. Method for preparation of linker LND1067 used for antibody drug conjugate. China, CN113336823 A. 2021-09-03. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (154.88 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.87 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 (3.87 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (3.87 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5488 mL | 7.7440 mL | 15.4880 mL | |
| 5 mM | 0.3098 mL | 1.5488 mL | 3.0976 mL | |
| 10 mM | 0.1549 mL | 0.7744 mL | 1.5488 mL |