| Size | Price | Stock | Qty |
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| 10g |
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| Other Sizes |
| Targets |
Ibacitabine is an inhibitor of viral polymerases, disrupting the synthesis of viral nucleic acids. The compound works by inhibiting viral replication or disrupting cellular DNA synthesis in cancer cells. It is specifically designed to interfere with the activity of enzymes like reverse transcriptase in viruses and DNA polymerases in cancer cells, preventing their proliferation. The primary target is viral DNA polymerase.
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| ln Vitro |
In vitro, ibacitabine shows significant antiviral activity against HSV1 in African green monkey Vero cells, achieving over 99.9% inhibition at a concentration of 10 µg/ml, with minimal cytotoxicity against mouse L5178Y and P815 cells (ID₅₀ > 100.0 µg/ml after 96 hours). The compound is used as an antiviral agent in cell-based assays and may also exhibit cytotoxic effects on host cells.
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| ln Vivo |
In vivo, ibacitabine is used topically in the treatment of herpes labialis (cold sores). It is a topical antiherpetic agent. The compound's pharmacological profile includes antiviral activity, but it may also exhibit cytotoxic effects on host cells, which is a common concern with nucleoside analogs. Specific in vivo pharmacokinetic data for topical administration are available from clinical use.
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| Enzyme Assay |
For in vitro antiviral assays, ibacitabine is evaluated against HSV1 in Vero cells. Cells are seeded in 96-well plates and infected with HSV1, then treated with the compound at various concentrations (typically 0.1-100 µg/mL). Viral replication is measured by plaque reduction assay or by quantifying viral DNA. The compound shows >99.9% inhibition at 10 µg/mL. Cytotoxicity is assessed in parallel using MTT assays in L5178Y and P815 cells.
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| Cell Assay |
For in vitro cell-based experiments, ibacitabine can be evaluated for antiviral activity against HSV1 and other viruses. Cells are infected with virus and treated with the compound at various concentrations for 24-72 hours. Viral titer is determined by plaque assay or by measuring viral DNA by qPCR. Cytotoxicity is assessed using MTT or resazurin-based assays. The compound's mechanism of action as a viral polymerase inhibitor can be confirmed in cell-free assays.
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| Animal Protocol |
In vivo animal studies for ibacitabine are typically conducted in models of HSV infection. The compound is administered topically to infected animals (e.g., guinea pigs or mice) and the reduction in lesion size, viral shedding, and time to healing are measured. Standard in vivo protocols for topical antiherpetic agents involve application of the compound to the infection site multiple times daily and assessment of clinical endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of ibacitabine are characterized for topical administration. As a nucleoside analog, it is expected to be phosphorylated intracellularly to its active triphosphate form. When applied topically, systemic absorption is minimal, limiting systemic toxicity. The compound's safety and efficacy for topical treatment of herpes labialis have been established through clinical use.
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| Toxicity/Toxicokinetics |
Ibacitabine is generally well-tolerated when used topically for the treatment of herpes labialis. As a nucleoside analog, it may cause local skin irritation at the application site. Systemic toxicity is minimal due to limited absorption. The compound is approved for topical use and has a well-established safety profile. Specific toxicity data are available from clinical studies and safety data sheets.
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| References | |
| Additional Infomation |
Ibacitabine is a pyrimidine 2'-deoxynucleoside. Ibacitabine is an iodinated analog of deoxycytidine and is used topically to treat cold sores.
Ibacitabine (5-Iodo-2'-deoxycytidine, CAS 611-53-0) is an FDA-approved antiviral drug for the topical treatment of herpes labialis (cold sores). It is a pyrimidine 2'-deoxyribonucleoside and iodinated analog of deoxycytidine. The compound functions as an inhibitor of viral polymerases and shows significant antiviral activity against HSV1. It is also used in genetic sequencing research. |
| Molecular Formula |
C9H12IN3O4
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|---|---|
| Molecular Weight |
353.11
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| Exact Mass |
352.987
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| CAS # |
611-53-0
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| PubChem CID |
65050
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| Appearance |
White to off-white solid powder
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| Density |
2.4±0.1 g/cm3
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| Boiling Point |
522.1±60.0 °C at 760 mmHg
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| Melting Point |
185 °C
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| Flash Point |
269.6±32.9 °C
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| Vapour Pressure |
0.0±3.1 mmHg at 25°C
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| Index of Refraction |
1.815
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| LogP |
-0.69
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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 |
2
|
| Heavy Atom Count |
17
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| Complexity |
398
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| Defined Atom Stereocenter Count |
3
|
| SMILES |
IC1C(N([H])[H])=NC(N(C=1[H])[C@@]1([H])C([H])([H])[C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])=O
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| InChi Key |
WEVJJMPVVFNAHZ-RRKCRQDMSA-N
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| InChi Code |
InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
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| Chemical Name |
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
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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) |
DMSO: 100 mg/mL (283.20 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.54 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 12.5 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: ≥ 1.25 mg/mL (3.54 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 1.25 mg/mL (3.54 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8320 mL | 14.1599 mL | 28.3198 mL | |
| 5 mM | 0.5664 mL | 2.8320 mL | 5.6640 mL | |
| 10 mM | 0.2832 mL | 1.4160 mL | 2.8320 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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