| Size | Price | |
|---|---|---|
| 100mg | ||
| Other Sizes |
| Targets |
Isocytosine is a non-natural nucleobase that can act as a substrate for specific enzymes involved in nucleic acid metabolism, potentially leading to the development of novel antiviral agents. The enzyme isocytosine-specific deaminase (ICD) can convert 5-fluoroisocytosine into an active form that exhibits cytotoxic effects on cancer cells. It also targets dihydropteroate synthase (folP) in some studies.
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|---|---|
| ln Vitro |
In vitro, Isocytosine is used in biochemical studies to investigate base pairing, tautomerism, and metal complex binding. It is also evaluated for diuretic activity in compound screens. The compound's ability to form hydrogen bonds and participate in proton transfer makes it a valuable model for studying nucleic acid chemistry.
|
| ln Vivo |
In vivo activity data for Isocytosine are limited, as the compound is primarily used in in vitro and structural studies. As a non-natural nucleobase, it may have applications in antiviral therapies and cancer treatment through its conversion by specific enzymes. However, in vivo pharmacological data are not extensively characterized.
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| Enzyme Assay |
In vitro enzyme assays for Isocytosine involve incubating the compound with specific enzymes such as isocytosine-specific deaminase (ICD). Enzyme activity is measured by monitoring the conversion of Isocytosine or its derivatives (e.g., 5-fluoroisocytosine) to active metabolites using spectrophotometric or chromatographic methods. Receptor binding studies typically focus on interactions with nucleic acid-metabolizing enzymes.
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| Cell Assay |
Cellular assays for Isocytosine are performed using cancer cell lines to evaluate the cytotoxic effects of its active metabolites. Cells are treated with Isocytosine or 5-fluoroisocytosine at various concentrations (1-100 uM) for 24-72 hours. Cell viability is assessed by MTT or CCK-8 assays. The activity of isocytosine-specific deaminase in converting the compound to its active form is a key determinant of cytotoxicity.
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| Animal Protocol |
In vivo animal studies for Isocytosine derivatives are conducted in xenograft mouse models to evaluate antitumor efficacy. Prodrugs such as 5-fluoroisocytosine are administered via oral or intraperitoneal routes. Tumor growth inhibition is assessed, and the activation by isocytosine-specific deaminase is monitored. However, standard protocols for Isocytosine itself are not well-established.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Isocytosine are not extensively characterized. As a small nucleobase analog, it is expected to have moderate oral bioavailability and distribution. The compound is stable under standard storage conditions and is soluble in aqueous solutions. No specific PK parameters have been reported in the literature.
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| Toxicity/Toxicokinetics |
Toxicological data for Isocytosine indicate that it is generally considered safe for research use. As a non-natural nucleobase, it does not exhibit significant acute toxicity at standard laboratory handling concentrations. The compound is for research use only and not for human consumption.
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| References | |
| Additional Infomation |
2-Amino-4-hydroxypyrimidine is an aminopyrimidine with amino and hydroxyl substituents at positions 2 and 4 of its pyrimidine ring, respectively. It is a pyrimidinone, an aminopyrimidine, and a pyrimidine nucleobase.
Isocytosine is a research-use compound not approved for clinical therapeutic applications. It is widely used in molecular biology and genetics research for studying nucleic acid analogues, base pairing, and enzyme-substrate interactions. The compound is also used in hachimoji RNA studies as a non-natural nucleic acid base. Its unique properties make it valuable for understanding the structural and functional diversity of nucleic acids. |
| Molecular Formula |
C4H5N3O
|
|---|---|
| Molecular Weight |
111.1020
|
| Exact Mass |
111.043
|
| CAS # |
108-53-2
|
| PubChem CID |
66950
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.5±0.1 g/cm3
|
| Boiling Point |
393.6±34.0 °C at 760 mmHg
|
| Melting Point |
275°C
|
| Flash Point |
191.9±25.7 °C
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.668
|
| LogP |
-1.01
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
8
|
| Complexity |
170
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CN=C(NC1=O)N
|
| InChi Key |
XQCZBXHVTFVIFE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
|
| Chemical Name |
2-amino-1H-pyrimidin-6-one
|
| 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 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)
|
| Solubility (In Vitro) |
DMSO : ~33.33 mg/mL (~300.00 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (22.50 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (22.50 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 9.0009 mL | 45.0045 mL | 90.0090 mL | |
| 5 mM | 1.8002 mL | 9.0009 mL | 18.0018 mL | |
| 10 mM | 0.9001 mL | 4.5005 mL | 9.0009 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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