Physicochemical Properties
Molecular Formula | C41H51N5O8SI |
Molecular Weight | 769.96 |
Exact Mass | 769.351 |
CAS # | 81279-39-2 |
PubChem CID | 135451092 |
Appearance | White to light yellow solid powder |
Density | 1.25 |
LogP | 6.874 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 14 |
Heavy Atom Count | 55 |
Complexity | 1310 |
Defined Atom Stereocenter Count | 4 |
SMILES | CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)O[Si](C)(C)C(C)(C)C |
InChi Key | JMCNKJFOIJGYRG-CJEGOSRCSA-N |
InChi Code | InChI=1S/C41H51N5O8Si/c1-25(2)36(48)44-39-43-35-32(37(49)45-39)42-24-46(35)38-34(54-55(8,9)40(3,4)5)33(47)31(53-38)23-52-41(26-13-11-10-12-14-26,27-15-19-29(50-6)20-16-27)28-17-21-30(51-7)22-18-28/h10-22,24-25,31,33-34,38,47H,23H2,1-9H3,(H2,43,44,45,48,49)/t31-,33-,34-,38-/m1/s1 |
Chemical Name | N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide |
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
References |
[1]. Practical silyl protection of ribonucleosides. Org Lett. 2013 Sep 20;15(18):4710-3. |
Solubility Data
Solubility (In Vitro) | DMSO : 100 mg/mL (129.88 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (3.25 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 2: ≥ 2.5 mg/mL (3.25 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 | 1.2988 mL | 6.4938 mL | 12.9877 mL | |
5 mM | 0.2598 mL | 1.2988 mL | 2.5975 mL | |
10 mM | 0.1299 mL | 0.6494 mL | 1.2988 mL |