Physicochemical Properties
Molecular Formula | C47H52N7O7P |
Molecular Weight | 857.93 |
Exact Mass | 857.366 |
Elemental Analysis | C, 65.80; H, 6.11; N, 11.43; O, 13.05; P, 3.61 |
CAS # | 98796-53-3 |
Related CAS # | DMT-dA(bz) Phosphoramidite-13C10,15N5;2483830-15-3;DMT-dA(bz) Phosphoramidite-15N5 |
PubChem CID | 9962711 |
Appearance | White to off-white solid powder |
LogP | 9.95 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 12 |
Rotatable Bond Count | 19 |
Heavy Atom Count | 62 |
Complexity | 1380 |
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)C7=CC=CC=C7 |
InChi Key | GGDNKEQZFSTIMJ-AKWFTNRHSA-N |
InChi Code | InChI=1S/C47H52N7O7P/c1-32(2)54(33(3)4)62(59-27-13-26-48)61-40-28-42(53-31-51-43-44(49-30-50-45(43)53)52-46(55)34-14-9-7-10-15-34)60-41(40)29-58-47(35-16-11-8-12-17-35,36-18-22-38(56-5)23-19-36)37-20-24-39(57-6)25-21-37/h7-12,14-25,30-33,40-42H,13,27-29H2,1-6H3,(H,49,50,52,55)/t40-,41+,42+,62?/m0/s1/i28+1,29+1,30+1,31+1,40+1,41+1,42+1,43+1,45+1,49+1,50+1,51+1,53+1 |
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]benzamide |
Synonyms | DMT-dA(bz) Phosphoramidite, configured for ABI; DMT-dA(bz) Phosphoramidite; DMT-dA(bz) Pharmadite(R) |
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 : ~25 mg/mL (~29.1 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (2.91 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 (2.91 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 | 1.1656 mL | 5.8280 mL | 11.6560 mL | |
5 mM | 0.2331 mL | 1.1656 mL | 2.3312 mL | |
10 mM | 0.1166 mL | 0.5828 mL | 1.1656 mL |