Physicochemical Properties
Molecular Formula | C20H25NO11 |
Molecular Weight | 455.412606954575 |
Exact Mass | 455.142 |
CAS # | 229977-57-5 |
PubChem CID | 59816530 |
Appearance | White to yellow solid powder |
LogP | -0.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 12 |
Rotatable Bond Count | 11 |
Heavy Atom Count | 32 |
Complexity | 699 |
Defined Atom Stereocenter Count | 5 |
SMILES | NC1C(O[C@@H]2O[C@H](C(=O)OC)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)=CC=C(CO)C=1 |
InChi Key | ZAZPQJAJSIUIEY-KVIJGQROSA-N |
InChi Code | InChI=1S/C20H25NO11/c1-9(23)28-15-16(29-10(2)24)18(30-11(3)25)20(32-17(15)19(26)27-4)31-14-6-5-12(8-22)7-13(14)21/h5-7,15-18,20,22H,8,21H2,1-4H3/t15-,16-,17-,18+,20+/m0/s1 |
Chemical Name | methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxane-2-carboxylate |
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 Glycosidase Cleavable Linker |
References |
[1]. Compounds, compositions, and methods for treatment of diseases involving acidic or hypoxic diseased tissues. WO2019136298A1. |
Solubility Data
Solubility (In Vitro) | DMSO : 200 mg/mL (439.16 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (10.98 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 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 (10.98 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 50.0 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: ≥ 5 mg/mL (10.98 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 | 2.1958 mL | 10.9791 mL | 21.9582 mL | |
5 mM | 0.4392 mL | 2.1958 mL | 4.3916 mL | |
10 mM | 0.2196 mL | 1.0979 mL | 2.1958 mL |