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| Other Sizes |
| Targets |
N2-Acetylguanine does not have a specific pharmacological target as it is primarily a fragment molecule and an impurity. Its function is to serve as a scaffold for the design and synthesis of novel drug candidates. As an impurity of acyclovir, it is structurally related to a nucleoside analogue, but it is not the primary active compound. It has been shown to disrupt Watson-Crick pairing between a ligand and RNA, indicating it may interact with nucleic acids. However, its precise molecular targets are not well-defined.
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| ln Vitro |
The crucial Watson-Crick pairing interaction between ligand and RNA is totally broken by N2-acetylguanine [1]. In Bacillus subtilis, N2-acetylguanine (20 µM) stimulates transcription termination [1].
Specific in vitro biological activities for N2-Acetylguanine are not extensively documented in the available literature. It is primarily used as a fragment molecule in drug discovery and as an analytical standard. It has been shown to completely disrupt a key Watson-Crick pairing interaction between a ligand and RNA, suggesting it may have the ability to interfere with nucleic acid interactions. This property could make it a useful tool for studying RNA-ligand interactions. However, its primary application is in chemical synthesis and analytical chemistry. |
| ln Vivo |
In vivo, N2-Acetylguanine is not used as a therapeutic agent. It is primarily a research chemical used as a fragment in drug discovery and as an impurity standard. Its role in vivo, if any, has not been characterized. The compound is not intended for human consumption and would not be administered to animals for therapeutic purposes. Its use is limited to laboratory research and quality control applications.
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| Enzyme Assay |
In vitro enzyme or receptor binding assays for N2-Acetylguanine are not typically performed, as the compound is not a known bioactive molecule with a defined target. Its use in research is primarily as a synthetic intermediate, fragment for medicinal chemistry, or analytical standard. When used in such contexts, it is subjected to chemical reactions or analytical procedures rather than biological assays. The compound's purity and identity are confirmed using standard analytical techniques such as HPLC.
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| Cell Assay |
Cell-based assays using N2-Acetylguanine are not typical, as the compound is not a bioactive molecule used for studying cellular processes. Its primary applications are in chemical synthesis, drug discovery as a fragment, and as an analytical standard. It is not generally used directly in cell culture experiments. The compound's ability to disrupt Watson-Crick pairing suggests it could be used to study RNA interactions, but this is not its primary application.
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| Animal Protocol |
In vivo animal experiments using N2-Acetylguanine are not typical, as the compound is a fragment molecule and an impurity standard rather than a therapeutic agent. It is not administered to animals for therapeutic purposes. Its role is limited to chemical synthesis, drug discovery, and analytical chemistry.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of N2-Acetylguanine have not been characterized, as the compound is not intended for in vivo use. It has a molecular weight of 193.16 g/mol and the formula C7H7N5O2. The compound is a solid with a melting point of 260°C. For long-term storage, the compound is kept as a powder under appropriate conditions. Its solubility and other physicochemical properties are not detailed in the available literature.
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| Toxicity/Toxicokinetics |
Specific toxicological data for N2-Acetylguanine are not provided in the available sources. As a research chemical, its safety profile in humans has not been established. The compound is classified as a research reagent and is not for therapeutic or veterinary use. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment.
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| References | |
| Additional Infomation |
N2-Acetylguanine is a fragment molecule and an impurity of the antiviral drug acyclovir. It has the molecular formula C7H7N5O2 and a molecular weight of 193.16 g/mol. The compound is also known as N-(6-oxo-3,7-dihydropurin-2-yl)acetamide. As a fragment molecule, it serves as a scaffold for molecular linking, expansion, and modification in drug discovery. It is used as an analytical standard for quality control in pharmaceutical analysis. N2-Acetylguanine has been shown to completely disrupt a key Watson-Crick pairing interaction between a ligand and RNA. It is intended for research use only and is not for human consumption.
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| Molecular Formula |
C7H7N5O2
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|---|---|
| Molecular Weight |
193.1628
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| Exact Mass |
193.06
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| CAS # |
19962-37-9
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| PubChem CID |
135432176
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| Appearance |
White to off-white solid powder
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| Density |
1.83 g/cm3
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| Melting Point |
260 °C
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| Index of Refraction |
1.833
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| LogP |
-0.9
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
14
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| Complexity |
313
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
MXSMRDDXWJSGMC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)
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| Chemical Name |
N-(6-oxo-1,7-dihydropurin-2-yl)acetamide
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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 |
| 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 : ~3.57 mg/mL (~18.48 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 | 5.1771 mL | 25.8853 mL | 51.7706 mL | |
| 5 mM | 1.0354 mL | 5.1771 mL | 10.3541 mL | |
| 10 mM | 0.5177 mL | 2.5885 mL | 5.1771 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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