Physicochemical Properties
| Molecular Formula | C40H49N4O9P |
| Molecular Weight | 760.8122 |
| Exact Mass | 760.324 |
| CAS # | 110764-79-9 |
| PubChem CID | 10897989 |
| Appearance | White to light yellow solid powder |
| LogP | 6.136 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 18 |
| Heavy Atom Count | 54 |
| Complexity | 1240 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC |
| InChi Key | UVUOJOLPNDCIHL-XKZJCBTISA-N |
| InChi Code | InChI=1S/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7)43-24-22-35(45)42-39(43)46)26-50-40(29-12-9-8-10-13-29,30-14-18-32(47-5)19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,36-38H,11,25-26H2,1-7H3,(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1 |
| Chemical Name | 3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile |
| 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]. The use of modified primers to eliminate cycle sequencing artifacts. Nucleic Acids Res. 1999 Dec 1;27(23):4642-8. [2]. Synthesis and characterization of 2'-modified-4'-thioRNA: a comprehensive comparison of nuclease stability. Nucleic Acids Res. 2009 Mar;37(4):1353-62. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~131.44 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.5 mg/mL (1.97 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 15.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1.5 mg/mL (1.97 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 15.0 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 | 1.3144 mL | 6.5719 mL | 13.1439 mL | |
| 5 mM | 0.2629 mL | 1.3144 mL | 2.6288 mL | |
| 10 mM | 0.1314 mL | 0.6572 mL | 1.3144 mL |