Physicochemical Properties
Molecular Formula | C44H49N5O7SI |
Molecular Weight | 787.97 |
Exact Mass | 787.34 |
CAS # | 81256-88-4 |
PubChem CID | 13888052 |
Appearance | White to off-white solid powder |
LogP | 7.826 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 14 |
Heavy Atom Count | 57 |
Complexity | 1250 |
Defined Atom Stereocenter Count | 4 |
SMILES | CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC |
InChi Key | QNPRMZLAAWKAPQ-GNECSJIWSA-N |
InChi Code | InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-35(55-42(37(38)50)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-29)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,45,46,48,51)/t35-,37-,38-,42-/m1/s1 |
Chemical Name | N-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-yl]purin-6-yl]benzamide |
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 : 100 mg/mL (126.91 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.17 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 | 1.2691 mL | 6.3454 mL | 12.6908 mL | |
5 mM | 0.2538 mL | 1.2691 mL | 2.5382 mL | |
10 mM | 0.1269 mL | 0.6345 mL | 1.2691 mL |