| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
6-Deoxypenciclovir itself does not bind to a specific therapeutic target as it is a prodrug intermediate. Its primary pharmacological target is the enzyme aldehyde oxidase, which is responsible for its metabolic conversion. This enzyme is found in the cytosol of many cells, with the highest concentration in the liver. The compound is a good substrate for rabbit hepatic aldehyde oxidase, and this interaction is the principal step in its activation pathway.
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| ln Vitro |
The in vitro activity of 6-Deoxypenciclovir is defined by its role as a substrate for aldehyde oxidase. In studies with human, guinea pig, rabbit, and rat liver cytosol, it is efficiently oxidized to penciclovir. Inhibitor studies confirm that xanthine oxidase does not contribute to its oxidation; the conversion is catalyzed solely by aldehyde oxidase. It does not exhibit direct antiviral activity in vitro, as its activity depends on metabolic activation.
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| ln Vivo |
In vivo, 6-Deoxypenciclovir is rapidly converted to penciclovir following absorption. This biotransformation occurs mainly in the liver, leading to the systemic exposure of the active antiviral agent. Studies using minipigs have been conducted to compare in vitro metabolism data with in vivo pharmacokinetic data for compounds metabolized by aldehyde oxidase, providing a rationale for species selection in drug development for such substrates.
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| Enzyme Assay |
A typical in vitro assay for 6-Deoxypenciclovir involves its incubation with aldehyde oxidase derived from the livers of various species (e.g., human, rabbit). The reaction mixture contains the compound and the enzyme source (liver cytosol or purified aldehyde oxidase) in a suitable buffer. The reaction is initiated by substrate addition and quenched at various time points. Metabolite formation (penciclovir) and substrate depletion are quantified using HPLC or LC-MS/MS to determine enzyme kinetics.
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| Cell Assay |
While specific cell-based assays for 6-Deoxypenciclovir are not commonly performed due to its inactivity, related assays for the active metabolite penciclovir are well-established. The in vitro antiviral activity of penciclovir is assessed in human lung fibroblast (MRC-5) cells infected with herpes simplex virus (HSV-1, HSV-2) or varicella-zoster virus (VZV). Cell viability and viral inhibition are measured using cytopathic effect (CPE) assays, with median IC50 values for penciclovir reported as approximately 0.4 ug/mL against HSV-1, 1.5 ug/mL against HSV-2, and 4.0 ug/mL against VZV.
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| Animal Protocol |
In vivo experiments for 6-Deoxypenciclovir focus on its pharmacokinetics and metabolism. A typical study uses minipigs or rats as animal models. The compound is administered via oral or intravenous routes, and blood samples are collected over time to measure plasma concentrations. The isolated perfused rat liver model has also been used to study the pharmacokinetics of this prodrug. The primary endpoint is the rate of conversion to penciclovir and the calculation of intrinsic clearance using non-compartmental or compartmental modeling.
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| ADME/Pharmacokinetics |
As a metabolite of famciclovir, the pharmacokinetics of 6-Deoxypenciclovir are defined by its rapid conversion. Its clearance from the body has been estimated from in vitro depletion experiments with human liver cytosol and microsomes. This prodrug has high bioavailability and is absorbed through the hepatic portal system, where it is predominantly metabolized. In vivo, the clearance of the compound was found to be underestimated when predicted from in vitro metabolism data, highlighting the complexity of its in vivo disposition.
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| Toxicity/Toxicokinetics |
Direct toxicological data for 6-Deoxypenciclovir as a standalone substance are limited, as it is primarily studied as an intermediate in the famciclovir pathway. It is not intended for human or veterinary use, being strictly a research chemical. Based on its role as an intermediate to a known antiviral, its toxicity profile is expected to be related to the active metabolite penciclovir, which has a well-established safety profile in the treatment of herpes virus infections. However, standard laboratory handling precautions for chemicals should be observed.
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| References | |
| Additional Infomation |
Famciclovir metabolites; do not inhibit 6β-hydroxylation of testosterone in human liver microsomes; structure as described in the first source.
The compound is a critical tool for researching aldehyde oxidase-mediated drug metabolism. It plays a significant role in drug development as it is used to predict human in vivo clearance from in vitro data, which is a key step in the drug discovery process. As the immediate precursor to penciclovir, it is a standard reference material used to study the metabolic stability and bioactivation pathways of antiviral nucleoside analogs. It is not an approved therapeutic agent but is a standard reference compound for in vitro metabolism studies. |
| Molecular Formula |
C10H15N5O2
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|---|---|
| Molecular Weight |
237.26
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| Exact Mass |
237.123
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| CAS # |
104227-86-3
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| PubChem CID |
128517
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| Appearance |
Solid powder
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| Density |
1.55 g/cm3
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| Boiling Point |
594.3ºC at 760 mmHg
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| Melting Point |
156-158ºC
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| Flash Point |
313.2ºC
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| Vapour Pressure |
5.73E-15mmHg at 25°C
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| Index of Refraction |
1.718
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| LogP |
0
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
17
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| Complexity |
239
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OCC(CO)CCN1C=NC2=CN=C(N)N=C12
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| InChi Key |
WJOWACPJSFGNRM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H15N5O2/c11-10-12-3-8-9(14-10)15(6-13-8)2-1-7(4-16)5-17/h3,6-7,16-17H,1-2,4-5H2,(H2,11,12,14)
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| Chemical Name |
2-[2-(2-aminopurin-9-yl)ethyl]propane-1,3-diol
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| Synonyms |
6-Deoxypaciclovir
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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: 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)
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| 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
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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 | 4.2148 mL | 21.0739 mL | 42.1479 mL | |
| 5 mM | 0.8430 mL | 4.2148 mL | 8.4296 mL | |
| 10 mM | 0.4215 mL | 2.1074 mL | 4.2148 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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