Physicochemical Properties
| Molecular Formula | C38H47N3O8SI |
| Molecular Weight | 701.88 |
| Exact Mass | 701.313 |
| CAS # | 121058-85-3 |
| PubChem CID | 11136250 |
| Appearance | White to off-white solid powder |
| Density | 1.19±0.1 g/cm3(Predicted) |
| LogP | 6.525 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 13 |
| Heavy Atom Count | 50 |
| Complexity | 1190 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)O[Si](C)(C)C(C)(C)C |
| InChi Key | ZFRWPAYPCFTQHK-HYGOWAQNSA-N |
| InChi Code | InChI=1S/C38H47N3O8Si/c1-25(42)39-32-22-23-41(36(44)40-32)35-34(49-50(7,8)37(2,3)4)33(43)31(48-35)24-47-38(26-12-10-9-11-13-26,27-14-18-29(45-5)19-15-27)28-16-20-30(46-6)21-17-28/h9-23,31,33-35,43H,24H2,1-8H3,(H,39,40,42,44)/t31-,33-,34-,35-/m1/s1 |
| Chemical Name | N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide |
| 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 (142.47 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (3.56 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 (3.56 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 | 1.4247 mL | 7.1237 mL | 14.2474 mL | |
| 5 mM | 0.2849 mL | 1.4247 mL | 2.8495 mL | |
| 10 mM | 0.1425 mL | 0.7124 mL | 1.4247 mL |