Physicochemical Properties
Molecular Formula | C48H54N7O8P |
Molecular Weight | 887.96 |
Exact Mass | 887.377 |
CAS # | 110543-74-3 |
PubChem CID | 13888020 |
Appearance | White to off-white solid powder |
LogP | 8.891 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 13 |
Rotatable Bond Count | 21 |
Heavy Atom Count | 64 |
Complexity | 1420 |
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=NC6=C(N=CN=C65)NC(=O)COC7=CC=CC=C7 |
InChi Key | INUFZOANRLMUCW-SDNJGBRXSA- |
InChi Code | InChI=1S/C48H54N7O8P/c1-33(2)55(34(3)4)64(61-27-13-26-49)63-41-28-44(54-32-52-45-46(50-31-51-47(45)54)53-43(56)30-59-40-16-11-8-12-17-40)62-42(41)29-60-48(35-14-9-7-10-15-35,36-18-22-38(57-5)23-19-36)37-20-24-39(58-6)25-21-37/h7-12,14-25,31-34,41-42,44H,13,27-30H2,1-6H3,(H,50,51,53,56)/t41-,42+,44+,64?/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]purin-6-yl]-2-phenoxyacetamide |
Synonyms | DMT-dA(PAc) Phosphoramidite |
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]. Chemo-Enzymatic Synthesis of Position-Specifically Modified RNA for Biophysical Studies including Light Control and NMR Spectroscopy. Angew Chem Int Ed Engl. 2018 Sep 10;57(37):12017-12021. |
Solubility Data
Solubility (In Vitro) | DMSO : ~100 mg/mL (~112.6 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (2.82 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 (2.82 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 | 1.1262 mL | 5.6309 mL | 11.2618 mL | |
5 mM | 0.2252 mL | 1.1262 mL | 2.2524 mL | |
10 mM | 0.1126 mL | 0.5631 mL | 1.1262 mL |