| Size | Price | |
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| Other Sizes |
| Targets |
This compound is a synthetic intermediate and has no direct biological target. It is a precursor molecule for the synthesis of other nucleoside analogs that may have antiviral or anticancer activity.
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|---|---|
| ln Vitro |
As a protected nucleoside, it does not have intrinsic bioactivity. However, as a precursor, it contributes to the synthesis of compounds that can inhibit cellular processes. For example, after deprotection and further modification, the resulting analogs can target viral DNA polymerases or other enzymes involved in nucleic acid metabolism.
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| ln Vivo |
Specific in vivo activity is not applicable, as this is a synthetic building block. The in vivo activity would be associated with the final deprotected nucleoside analog drug. This compound is used to construct such potential drugs.
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| Enzyme Assay |
As a synthetic intermediate, it is not evaluated in standard binding assays. Its identity and purity are confirmed using chemical analysis. An analytical assay to confirm its structure would be Nuclear Magnetic Resonance (NMR) spectroscopy (¹H and ¹3C) and Mass Spectrometry (MS) to verify its exact mass and structural integrity. High-Performance Liquid Chromatography (HPLC) is used to determine its purity (typically ≥98%).
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| Cell Assay |
Cell-based assays are not performed with this protected nucleoside, as it is not a drug candidate. A standard protocol in medicinal chemistry would involve using it as a starting material. A chemist would deprotect the acetyl groups using a weak base (e.g., ammonia in methanol) to yield guanosine. The guanosine is then purified and used as a substrate to create more complex molecules. The final, fully deprotected molecule would then be tested in cell-based assays for antiviral or anticancer activity.
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| Animal Protocol |
In vivo animal experimental protocols are not applicable. This compound is not intended to be administered to animals in its current form. If it were used to create a drug candidate, that candidate would then undergo standard animal testing for efficacy and safety.
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| ADME/Pharmacokinetics |
No pharmacokinetic data is available, as it is not a drug. Its high lipophilicity due to the acetyl groups would likely lead to good passive diffusion across lipid membranes if it were administered, but it would also be rapidly hydrolyzed by esterases in the body.
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| Toxicity/Toxicokinetics |
No toxicity information is available, as it is not a drug. Standard laboratory safety precautions for handling synthetic intermediates are sufficient. The compound is not for human or veterinary use.
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| References | |
| Additional Infomation |
This is a classic example of a "masked" or "protected" nucleoside. The acetyl (Ac) groups are a common orthogonal protecting group in organic chemistry, stable to acid but easily removed with base. This compound is a building block for the synthesis of more complex nucleoside analogs, including potential drug candidates. It is strictly a research chemical.
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| Molecular Formula |
C14H17N5O7
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|---|---|
| Molecular Weight |
367.31
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| Exact Mass |
367.113
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| CAS # |
42167-65-7
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| PubChem CID |
135960421
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| Appearance |
White to off-white solid powder
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| LogP |
-1.3
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
26
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| Complexity |
641
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| Defined Atom Stereocenter Count |
4
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| SMILES |
CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=NC3=C2N=C(NC3=O)N)CO
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| InChi Key |
MESNVKGXLMWATF-QYVSTXNMSA-N
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| InChi Code |
InChI=1S/C14H17N5O7/c1-5(21)24-9-7(3-20)26-13(10(9)25-6(2)22)19-4-16-8-11(19)17-14(15)18-12(8)23/h4,7,9-10,13,20H,3H2,1-2H3,(H3,15,17,18,23)/t7-,9-,10-,13-/m1/s1
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| Chemical Name |
[(2R,3R,4R,5R)-4-acetyloxy-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : 17.86 mg/mL (48.62 mM)
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|---|---|
| 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 | 2.7225 mL | 13.6125 mL | 27.2250 mL | |
| 5 mM | 0.5445 mL | 2.7225 mL | 5.4450 mL | |
| 10 mM | 0.2722 mL | 1.3612 mL | 2.7225 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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