Physicochemical Properties
Molecular Formula | C16H27N5O4SI |
Molecular Weight | 381.50 |
Exact Mass | 381.183 |
CAS # | 51549-33-8 |
PubChem CID | 135546157 |
Appearance | White to off-white solid powder |
LogP | 1.714 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Heavy Atom Count | 26 |
Complexity | 594 |
Defined Atom Stereocenter Count | 3 |
SMILES | CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=C(NC3=O)N)O |
InChi Key | SEYILVDPIQPEAP-HBNTYKKESA-N |
InChi Code | InChI=1S/C16H27N5O4Si/c1-16(2,3)26(4,5)24-7-10-9(22)6-11(25-10)21-8-18-12-13(21)19-15(17)20-14(12)23/h8-11,22H,6-7H2,1-5H3,(H3,17,19,20,23)/t9-,10+,11+/m0/s1 |
Chemical Name | 2-amino-9-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one |
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: This product requires protection from light (avoid light exposure) during transportation and storage. |
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
Solubility Data
Solubility (In Vitro) | DMSO : 250 mg/mL (655.31 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.45 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 20.8 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: ≥ 2.08 mg/mL (5.45 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 20.8 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: ≥ 2.08 mg/mL (5.45 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 20.8 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 | 2.6212 mL | 13.1062 mL | 26.2123 mL | |
5 mM | 0.5242 mL | 2.6212 mL | 5.2425 mL | |
10 mM | 0.2621 mL | 1.3106 mL | 2.6212 mL |