| Size | Price | Stock | Qty |
|---|---|---|---|
| 25mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
No direct biological target; the compound is a synthetic intermediate for antiviral drugs. The 3-fluoro modification may confer resistance to enzymatic degradation and improve metabolic stability when incorporated into nucleosides. As a ribofuranosyl nucleoside analog, it may act as a structural mimic of ribonucleosides.
|
|---|---|
| ln Vitro |
The compound itself has no reported biological activity as it is a protected synthetic intermediate. Upon deprotection and incorporation into nucleosides, the resulting compounds may have antiviral properties, including inhibition of reverse transcriptase for hepatitis B treatment.
|
| ln Vivo |
Not applicable; the compound is a synthetic intermediate with no direct in vivo activity. The final deprotected nucleoside or nucleoside analog may have antiviral activity in vivo. The compound itself is not used directly in vivo.
|
| Enzyme Assay |
Not applicable for the protected intermediate. For nucleoside synthesis, standard organic chemistry methods are used. The compound is characterized by HPLC, NMR, and mass spectrometry to confirm identity and purity. Deprotection steps remove the acetyl and benzoyl groups to yield the free nucleoside for biological studies.
|
| Cell Assay |
Cells are not typically treated directly with this protected intermediate. The compound is used in chemical synthesis of nucleoside analogs. The final deprotected products may be tested in cellular assays for antiviral activity.
|
| Animal Protocol |
Not applicable; the compound is a synthetic intermediate not used directly in animal studies. The final nucleoside analogs derived from this intermediate may be tested in animal models for antiviral applications, including hepatitis B treatment.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for the protected intermediate are not applicable. The compound has a molecular weight of 340.3 and formula C16H17FO7. The protecting groups are removed during synthesis, so they do not affect the final compound's PK.
|
| Toxicity/Toxicokinetics |
Toxicology data for the protected intermediate have not been published. The compound is for research use only and not approved for human therapeutic applications. No systematic toxicological evaluation has been performed. Standard safety precautions should be observed.
|
| Additional Infomation |
1,2-Di-O-acetyl-5-O-benzoyl-3-deoxy-3-fluoro-D-ribofuranose (CAS: 159099-24-8, molecular formula C16H17FO7, molecular weight 340.3) is a ribofuranosyl nucleoside analog. It is an intermediate for antiviral drugs, including hepatitis B treatments. It acts as a structural mimic of ribonucleosides. It is not in clinical trials.
|
| Molecular Formula |
C16H17FO7
|
|---|---|
| Molecular Weight |
340.30
|
| Exact Mass |
340.095
|
| CAS # |
159099-24-8
|
| PubChem CID |
14352953
|
| Appearance |
Colorless to light yellow oil
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
422.9±45.0 °C at 760 mmHg
|
| Flash Point |
202.2±23.6 °C
|
| Vapour Pressure |
0.0±1.0 mmHg at 25°C
|
| Index of Refraction |
1.519
|
| LogP |
2.67
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
24
|
| Complexity |
475
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
FC1C(COC(C2C=CC=CC=2)=O)OC(C1OC(C)=O)OC(C)=O
|
| InChi Key |
JMEMYKBTQDHFEB-MHRDGSLOSA-N
|
| InChi Code |
InChI=1S/C16H17FO7/c1-9(18)22-14-13(17)12(24-16(14)23-10(2)19)8-21-15(20)11-6-4-3-5-7-11/h3-7,12-14,16H,8H2,1-2H3/t12-,13+,14-,16?/m1/s1
|
| Chemical Name |
[(2R,3S,4S)-4,5-diacetyloxy-3-fluorooxolan-2-yl]methyl benzoate
|
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9386 mL | 14.6929 mL | 29.3858 mL | |
| 5 mM | 0.5877 mL | 2.9386 mL | 5.8772 mL | |
| 10 mM | 0.2939 mL | 1.4693 mL | 2.9386 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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