Physicochemical Properties
Molecular Formula | C46H52N5O8P |
Molecular Weight | 833.91 |
Exact Mass | 833.355 |
CAS # | 102212-98-6 |
Related CAS # | DMT-dC(bz) Phosphoramidite-13C9,15N3;2483830-14-2 |
PubChem CID | 9832450 |
Appearance | White to off-white solid powder |
LogP | 9.39 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 19 |
Heavy Atom Count | 60 |
Complexity | 1440 |
Defined Atom Stereocenter Count | 3 |
SMILES | CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6 |
InChi Key | PGTNFMKLGRFZDX-SALLYJDFSA-N |
InChi Code | InChI=1S/C46H52N5O8P/c1-32(2)51(33(3)4)60(57-29-13-27-47)59-40-30-43(50-28-26-42(49-45(50)53)48-44(52)34-14-9-7-10-15-34)58-41(40)31-56-46(35-16-11-8-12-17-35,36-18-22-38(54-5)23-19-36)37-20-24-39(55-6)25-21-37/h7-12,14-26,28,32-33,40-41,43H,13,29-31H2,1-6H3,(H,48,49,52,53)/t40-,41+,43+,60?/m0/s1 |
Chemical Name | N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
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]. Mechanochemical Synthesis of Short DNA Fragments. Chemistry. 2020 Jul 22;26(41):8857-8861. |
Solubility Data
Solubility (In Vitro) | DMSO : 100 mg/mL (119.92 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (3.00 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 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: ≥ 2.5 mg/mL (3.00 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 | 1.1992 mL | 5.9959 mL | 11.9917 mL | |
5 mM | 0.2398 mL | 1.1992 mL | 2.3983 mL | |
10 mM | 0.1199 mL | 0.5996 mL | 1.1992 mL |