Physicochemical Properties
| Molecular Formula | C47H67N9O10SSI |
| Molecular Weight | 978.24 |
| Exact Mass | 977.45 |
| CAS # | 2599839-59-3 |
| PubChem CID | 163322293 |
| Appearance | Light yellow to yellow solid powder |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 34 |
| Heavy Atom Count | 68 |
| Complexity | 1540 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | [Si](C1C=CC=CC=1)(C1C=CC=CC=1)(OCCCNC(C1=CN=C(CN=[N+]=[N-])C=C1)=O)OC(C)(C)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@]2([H])NC(=O)N[C@]12[H] |
| InChi Key | SGCWLLPKOCPPEB-UEMJTUMQSA-N |
| InChi Code | InChI=1S/C47H67N9O10SSi/c1-47(2,66-68(38-12-5-3-6-13-38,39-14-7-4-8-15-39)65-23-11-21-50-45(59)36-18-19-37(51-32-36)33-53-56-48)35-52-43(58)20-24-61-26-28-63-30-31-64-29-27-62-25-22-49-42(57)17-10-9-16-41-44-40(34-67-41)54-46(60)55-44/h3-8,12-15,18-19,32,40-41,44H,9-11,16-17,20-31,33-35H2,1-2H3,(H,49,57)(H,50,59)(H,52,58)(H2,54,55,60)/t40-,41-,44-/m0/s1 |
| Chemical Name | N-[3-[[1-[3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methylpropan-2-yl]oxy-diphenylsilyl]oxypropyl]-6-(azidomethyl)pyridine-3-carboxamide |
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). 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
| References |
[1]. Bump-and-Hole Engineering Identifies Specific Substrates of Glycosyltransferases in Living Cells. Mol Cell. 2020 Jun 4;78(5):824-834.e15. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~102.22 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.56 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 (2.56 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 (2.56 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 | 1.0222 mL | 5.1112 mL | 10.2224 mL | |
| 5 mM | 0.2044 mL | 1.0222 mL | 2.0445 mL | |
| 10 mM | 0.1022 mL | 0.5111 mL | 1.0222 mL |