| Size | Price | |
|---|---|---|
| 50mg | ||
| 100mg | ||
| Other Sizes |
| Targets |
The described molecular target is not a specific biological protein but rather a class of molecules. As a purine nucleoside analog, its purpose is to serve as a building block. However, its intended downstream targets after further synthetic modifications are DNA polymerases and the DNA replication machinery. It acts as a precursor for compounds that compete with natural nucleosides, disrupting nucleic acid synthesis in rapidly dividing cells.
|
|---|---|
| ln Vitro |
Specific in vitro activity for this compound is not reported because it is primarily a synthetic intermediate. It is not typically tested directly in cell-based assays. Its value lies in its chemical reactivity, particularly for the methylation of carbohydrates and for forming glycosidic bonds, to create bioactive molecules. Any in vitro activity would be associated with the final compounds that are synthesized from it.
|
| ln Vivo |
This compound is used for research purposes in the synthesis of various saccharides and nucleoside analogs. It serves as a "building block" for the preparation of other molecules. Therefore, direct in vivo studies of this compound as a therapeutic agent are not typically performed. Its value is in enabling medicinal chemistry, not in providing direct biological activity in animal models.
|
| Enzyme Assay |
As a building block, it is not typically evaluated in cell-free enzyme assays. However, if the final synthetic product were a nucleoside analog, it could be tested in a DNA polymerase activity assay. In such a system, the DNA polymerase and a DNA template are incubated with a mixture of deoxynucleotide triphosphates (dNTPs) and the final compound (as a triphosphate derivative). The effect on the rate of DNA synthesis is then measured.
|
| Cell Assay |
This compound is not a drug and is not designed for direct testing on cells. It is a chemical intermediate used in the laboratory. It is typically handled and used in organic synthesis reactions (e.g., glycosylation reactions) to prepare other research-grade compounds, which may then be tested in cellular assays. Its purity (>98.00%) is confirmed by HPLC for synthetic use.
|
| Animal Protocol |
Since this compound is a synthetic intermediate, there are no established protocols for animal dosing. It is not intended for administration to animals. Its use is confined to the chemistry laboratory. It is typically stored at -20degC as a solid and shipped at room temperature. Its physical properties (e.g., solid, white) are characterized for use in chemical synthesis.
|
| ADME/Pharmacokinetics |
No in vivo pharmacokinetic data is available for this compound, as it is not intended for use as a therapeutic agent. It is a building block with a molecular weight of 308.33 and a predicted high degree of stability as a solid when stored at -20degC. Its solubility and chemical properties are defined for use in organic synthesis, not for biological drug development.
|
| Toxicity/Toxicokinetics |
This compound is not a therapeutic and has not been evaluated in toxicology studies. It is a research-grade chemical that is handled with standard laboratory safety precautions. It is stored at -20degC and is stable. As a chemical intermediate, its handling typically requires personal protective equipment (PPE) to avoid exposure, but specific systemic toxicology data is not applicable as it is not designed for use in animals.
|
| References |
[1]. Robak T, Robak P. Purine nucleoside analogs in the treatment of rarer chronic lymphoid leukemias. Curr Pharm Des. 2012;18(23):3373-88.
|
| Additional Infomation |
This compound is a synthetic building block in organic chemistry. It features an isopropylidene (acetonide) protecting group at the C1 and C2 positions and a p-toluoyl (4-methylbenzoyl) protecting group at the C5 position of a D-xylofuranose sugar. These protecting groups make it a valuable reagent for the regio-selective modification of carbohydrates, particularly for the synthesis of nucleoside analogs. It is not an approved drug and has no clinical trials. Its primary value is as a tool for medicinal chemistry and drug discovery research.
|
| Molecular Formula |
C16H20O6
|
|---|---|
| Molecular Weight |
308.33
|
| Exact Mass |
308.126
|
| CAS # |
75096-60-5
|
| PubChem CID |
715277
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
1.389
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
22
|
| Complexity |
415
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
O1[C@]([H])(C([H])([H])OC(C2C([H])=C([H])C(C([H])([H])[H])=C([H])C=2[H])=O)[C@@]([H])([C@]2([H])[C@@]1([H])OC(C([H])([H])[H])(C([H])([H])[H])O2)O[H]
|
| InChi Key |
AFHPWODMQGXJFV-QVHKTLOISA-N
|
| InChi Code |
InChI=1S/C16H20O6/c1-9-4-6-10(7-5-9)14(18)19-8-11-12(17)13-15(20-11)22-16(2,3)21-13/h4-7,11-13,15,17H,8H2,1-3H3/t11-,12+,13-,15-/m1/s1
|
| Chemical Name |
[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzoate
|
| 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 | 3.2433 mL | 16.2164 mL | 32.4328 mL | |
| 5 mM | 0.6487 mL | 3.2433 mL | 6.4866 mL | |
| 10 mM | 0.3243 mL | 1.6216 mL | 3.2433 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
