Physicochemical Properties
Molecular Formula | C39H37N5O7 |
Molecular Weight | 687.74 |
Exact Mass | 687.269 |
CAS # | 110522-82-2 |
PubChem CID | 13888002 |
Appearance | White to off-white solid powder |
LogP | 5.591 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 13 |
Heavy Atom Count | 51 |
Complexity | 1050 |
Defined Atom Stereocenter Count | 3 |
SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)NC(=O)COC7=CC=CC=C7)O |
InChi Key | JDJUQANHKJNEFT-VUHKNJSWSA-N |
InChi Code | InChI=1S/C39H37N5O7/c1-47-29-17-13-27(14-18-29)39(26-9-5-3-6-10-26,28-15-19-30(48-2)20-16-28)50-22-33-32(45)21-35(51-33)44-25-42-36-37(40-24-41-38(36)44)43-34(46)23-49-31-11-7-4-8-12-31/h3-20,24-25,32-33,35,45H,21-23H2,1-2H3,(H,40,41,43,46)/t32-,33+,35+/m0/s1 |
Chemical Name | N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]-2-phenoxyacetamide |
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]. The final deprotection step in oligonucleotide synthesis is reduced to a mild and rapid ammonia treatment by using labile base-protecting groups. Nucleic Acids Res. 1987 Jan 26;15(2):397-416. |
Solubility Data
Solubility (In Vitro) | DMSO : 250 mg/mL (363.51 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.02 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 | 1.4540 mL | 7.2702 mL | 14.5404 mL | |
5 mM | 0.2908 mL | 1.4540 mL | 2.9081 mL | |
10 mM | 0.1454 mL | 0.7270 mL | 1.4540 mL |