Physicochemical Properties
| Molecular Formula | C40H49N4O8P |
| Molecular Weight | 744.81 |
| Exact Mass | 744.328 |
| Elemental Analysis | C, 64.50; H, 6.63; N, 7.52; O, 17.18; P, 4.16 |
| CAS # | 98796-51-1 |
| Related CAS # | DMT-dT Phosphoramidite-13C10,15N2;2483830-17-5;DMT-dT Phosphoramidite-15N2 |
| PubChem CID | 9940288 |
| Appearance | White to off-white solid powder |
| LogP | 8.09 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 17 |
| Heavy Atom Count | 53 |
| Complexity | 1240 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N |
| InChi Key | UNOTXUFIWPRZJX-CEXSRUIHSA-N |
| InChi Code | InChI=1S/C40H49N4O8P/c1-27(2)44(28(3)4)53(50-23-11-22-41)52-35-24-37(43-25-29(5)38(45)42-39(43)46)51-36(35)26-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32/h8-10,12-21,25,27-28,35-37H,11,23-24,26H2,1-7H3,(H,42,45,46)/t35-,36+,37+,53?/m0/s1 |
| Chemical Name | 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile |
| Synonyms | DMT-dT Phosphoramidite; 5'-O-DMT-Thymidine-CE 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: (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 : ~250 mg/mL (~335.7 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (2.79 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 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 (2.79 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 | 1.3426 mL | 6.7131 mL | 13.4262 mL | |
| 5 mM | 0.2685 mL | 1.3426 mL | 2.6852 mL | |
| 10 mM | 0.1343 mL | 0.6713 mL | 1.3426 mL |