Physicochemical Properties
| Molecular Formula | C14H26N4O8 |
| Molecular Weight | 378.378243923187 |
| Exact Mass | 378.175 |
| CAS # | 882873-70-3 |
| PubChem CID | 75534904 |
| Appearance | White to off-white solid powder |
| LogP | -1.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 26 |
| Complexity | 462 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O1[C@@H]([C@@H]([C@H]([C@H]([C@H]1CO)O)O)NC(C)=O)OCCOCCOCCN=[N+]=[N-] |
| InChi Key | FLYIOTWDNWJXHY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H26N4O8/c1-9(20)17-11-13(22)12(21)10(8-19)26-14(11)25-7-6-24-5-4-23-3-2-16-18-15/h10-14,19,21-22H,2-8H2,1H3,(H,17,20) |
| Chemical Name | N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| Synonyms | SCHEMBL24415100; AKOS030212810; |
| 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
| References |
[1]. Recent applications of click chemistry in drug discovery. Expert Opin Drug Discov. 2019 Aug;14(8):779-789. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~264.28 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.61 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 (6.61 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 (6.61 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. Solubility in Formulation 4: 10% DMSO+ 40% PEG300+ 5% Tween-80+ 45% Saline: ≥ 2.5 mg/mL (6.61 mM)  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6428 mL | 13.2142 mL | 26.4285 mL | |
| 5 mM | 0.5286 mL | 2.6428 mL | 5.2857 mL | |
| 10 mM | 0.2643 mL | 1.3214 mL | 2.6428 mL |