| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
|
||
| Other Sizes |
| Targets |
No direct biological target; the compound is a protected nucleoside intermediate for synthesis. The DMTr group protects the 5'-hydroxyl and the benzoyl group protects the adenine amino group during synthesis. Purine nucleoside analogs have broad antitumor activity.
|
|---|---|
| ln Vitro |
The compound itself has no biological activity as it is a protected synthetic intermediate. Upon deprotection, the resulting 2'-deoxyadenosine derivatives may have biological activity.
|
| ln Vivo |
Not applicable; the compound is a synthetic intermediate with no direct in vivo activity.
|
| Enzyme Assay |
Not applicable for the protected intermediate. For nucleoside synthesis, standard organic chemistry methods are used. The compound is characterized by HPLC and NMR. Deprotection steps remove the protecting groups.
|
| Cell Assay |
Cells are not typically treated directly with this protected intermediate. The compound is used in chemical synthesis.
|
| Animal Protocol |
Not applicable; the compound is a synthetic intermediate not used directly in animal studies.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data are not applicable. The compound has a molecular weight of 655.74 and formula C38H37N5O6. The protecting groups are removed during synthesis.
|
| Toxicity/Toxicokinetics |
Toxicology data have not been published. The compound is for research use only.
|
| Additional Infomation |
N6-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine (CAS: 64325-78-6) is a protected 2'-deoxyadenosine derivative. It is used in oligonucleotide synthesis. It is not in clinical trials.
|
| Molecular Formula |
C38H35N5O6
|
|---|---|
| Molecular Weight |
657.71
|
| Exact Mass |
657.259
|
| CAS # |
64325-78-6
|
| PubChem CID |
2724489
|
| Appearance |
White to off-white solid powder
|
| Density |
1.32 g/cm3
|
| Melting Point |
94 °C
|
| Index of Refraction |
-10 ° (C=1, MeOH)
|
| LogP |
5.825
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
11
|
| Heavy Atom Count |
49
|
| Complexity |
1020
|
| 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)C7=CC=CC=C7)O
|
| InChi Key |
LPICNYATEWGYHI-WIHCDAFUSA-N
|
| InChi Code |
InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)48-22-32-31(44)21-33(49-32)43-24-41-34-35(39-23-40-36(34)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-33,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,33+/m0/s1
|
| Chemical Name |
N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~152.0 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.80 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5204 mL | 7.6021 mL | 15.2043 mL | |
| 5 mM | 0.3041 mL | 1.5204 mL | 3.0409 mL | |
| 10 mM | 0.1520 mL | 0.7602 mL | 1.5204 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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