Physicochemical Properties
Molecular Formula | C47H51FN7O7P |
Molecular Weight | 875.92 |
Exact Mass | 875.357 |
CAS # | 136834-22-5 |
PubChem CID | 12042896 |
Appearance | White to off-white solid powder |
LogP | 10.49 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 13 |
Rotatable Bond Count | 19 |
Heavy Atom Count | 63 |
Complexity | 1420 |
Defined Atom Stereocenter Count | 4 |
SMILES | CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1F)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC |
InChi Key | VCCMVPDSLHFCBB-MSIRFHFKSA-N |
InChi Code | InChI=1S/C47H51FN7O7P/c1-31(2)55(32(3)4)63(60-27-13-26-49)62-42-39(61-46(40(42)48)54-30-52-41-43(50-29-51-44(41)54)53-45(56)33-14-9-7-10-15-33)28-59-47(34-16-11-8-12-17-34,35-18-22-37(57-5)23-19-35)36-20-24-38(58-6)25-21-36/h7-12,14-25,29-32,39-40,42,46H,13,27-28H2,1-6H3,(H,50,51,53,56)/t39-,40-,42-,46-,63?/m1/s1 |
Chemical Name | N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]purin-6-yl]benzamide |
Synonyms | DMT-2'fluoro-da(bz) amidite |
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 |
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]. Uniformly modified 2'-deoxy-2'-fluoro phosphorothioate oligonucleotides as nuclease-resistant antisense compounds with high affinity and specificity for RNA targets. J Med Chem. 1993 Apr 2;36(7):831-41. |
Solubility Data
Solubility (In Vitro) | DMSO : ~100 mg/mL (~114.2 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.85 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 | 1.1417 mL | 5.7083 mL | 11.4166 mL | |
5 mM | 0.2283 mL | 1.1417 mL | 2.2833 mL | |
10 mM | 0.1142 mL | 0.5708 mL | 1.1417 mL |