Physicochemical Properties
Molecular Formula | C44H54N7O8P |
Molecular Weight | 839.92 |
Exact Mass | 839.377 |
CAS # | 93183-15-4 |
Related CAS # | DMT-dG(ib) Phosphoramidite-13C10,15N5;2483830-16-4;DMT-dG(ib) Phosphoramidite-15N5 |
PubChem CID | 135447702 |
Appearance | White to off-white solid powder |
LogP | 7.22 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 12 |
Rotatable Bond Count | 19 |
Heavy Atom Count | 60 |
Complexity | 1440 |
Defined Atom Stereocenter Count | 3 |
SMILES | CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N |
InChi Key | FDRMKYVTIFSDPR-MMROLVBFSA-N |
InChi Code | InChI=1S/C44H54N7O8P/c1-28(2)41(52)48-43-47-40-39(42(53)49-43)46-27-50(40)38-25-36(59-60(57-24-12-23-45)51(29(3)4)30(5)6)37(58-38)26-56-44(31-13-10-9-11-14-31,32-15-19-34(54-7)20-16-32)33-17-21-35(55-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3,(H2,47,48,49,52,53)/t36-,37+,38+,60?/m0/s1 |
Chemical Name | N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide |
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: 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 (119.06 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.98 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 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 (2.98 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 | 1.1906 mL | 5.9529 mL | 11.9059 mL | |
5 mM | 0.2381 mL | 1.1906 mL | 2.3812 mL | |
10 mM | 0.1191 mL | 0.5953 mL | 1.1906 mL |