Physicochemical Properties
| Molecular Formula | C41H49N4O9P |
| Molecular Weight | 772.823 |
| Exact Mass | 772.323 |
| CAS # | 206055-75-6 |
| PubChem CID | 11343250 |
| Appearance | White to off-white solid powder |
| LogP | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 17 |
| Heavy Atom Count | 55 |
| Complexity | 1350 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | CC(C)N(C(C)C)P(OCCC#N)O[C@@H]([C@@H](OC1)[C@H](N2C(NC(C(C)=C2)=O)=O)O3)[C@@]31COC(C4=CC=C(OC)C=C4)(C5=CC=CC=C5)C6=CC=C(OC)C=C6 |
| InChi Key | STPXOEPMLLHUDQ-ZRCIEBSPSA-N |
| InChi Code | InChI=1S/C41H49N4O9P/c1-27(2)45(28(3)4)55(52-23-11-22-42)54-36-35-38(44-24-29(5)37(46)43-39(44)47)53-40(36,25-50-35)26-51-41(30-12-9-8-10-13-30,31-14-18-33(48-6)19-15-31)32-16-20-34(49-7)21-17-32/h8-10,12-21,24,27-28,35-36,38H,11,23,25-26H2,1-7H3,(H,43,46,47)/t35-,36+,38-,40-,55?/m1/s1 |
| Chemical Name | 3-[[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-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]. Locked nucleic acid (LNA) enhances binding affinity of triazole-linked DNA towards RNA. Chem Commun (Camb). 2017 Aug 3;53(63):8910-8913. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~323.49 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.69 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 (2.69 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 | 1.2940 mL | 6.4698 mL | 12.9396 mL | |
| 5 mM | 0.2588 mL | 1.2940 mL | 2.5879 mL | |
| 10 mM | 0.1294 mL | 0.6470 mL | 1.2940 mL |