Ibacitabine
Based on 1 Customer Validation
Ibacitabine (5-Iodo-2'-deoxycytidine) is a nucleoside analog that serves as a substrate for cytidine deaminase, with antiviral and antitumor activities. Ibacitabine is preferentially phosphorylated and activated by kinases specifically induced by herpesviruses, thereby being converted into its active form (IdUTP) and incorporated into viral DNA in infected cells. Ibacitabine can be used in the research of herpes simplex virus infection and herpetic keratitis.
For research use only. We do not sell to patients.
- Purity : 99.81%
- CAS No.: 611-53-0
- Formula: C9H12IN3O4
- Molecular Weight:353.12
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Storage:
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Protocols
- Purity & Documentation
- References
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Help & FAQs
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Biological Activity
Description
In Vitro
Ibacitabine potently inhibits herpes simplex virus replication in cell culture[1].
Ibacitabine exhibits reduced cytotoxicity compared to IdUrd in baby hamster kidney cells lacking cytidine deaminase, and its toxicity in HEp-2 cells containing cytidine deaminase can be mitigated by co-administration of tetrahydouridine[1].
Ibacitabine is selectively phosphorylated by herpes simplex virus-induced pyrimidine deoxyribonucleoside kinase, but poorly utilized by most mammalian cellular kinases, contributing to its selective antiviral activity[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Ibacitabine (topical; daily; 12 days) is therapeutically effective against herpes simplex virus keratitis in rabbits, with efficacy comparable to 5-iodo-2'-deoxyuridine (HY-B0307)[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 611-53-0
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Appearance Solid
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Molecular Weight 353.12
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Formula C9H12IN3O4
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Color White to off-white
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SMILES
O[C@H]1C[C@H](N2C(N=C(N)C(I)=C2)=O)O[C@@H]1CO
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Synonyms
5-Iodo-2'-deoxycytidine
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
Solvent & Solubility
In Vitro:
DMSO : 100 mg/mL (283.19 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 1.25 mg/mL (3.54 mM); Clear solution
This protocol yields a clear solution of ≥ 1.25 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (12.5 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 1.25 mg/mL (3.54 mM); Clear solution
This protocol yields a clear solution of ≥ 1.25 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (12.5 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL. * In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
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Data Sheet (281 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.8319 mL | 14.1595 mL | 28.3190 mL | 70.7975 mL |
| 5 mM | 0.5664 mL | 2.8319 mL | 5.6638 mL | 14.1595 mL | |
| 10 mM | 0.2832 mL | 1.4159 mL | 2.8319 mL | 7.0797 mL | |
| 15 mM | 0.1888 mL | 0.9440 mL | 1.8879 mL | 4.7198 mL | |
| 20 mM | 0.1416 mL | 0.7080 mL | 1.4159 mL | 3.5399 mL | |
| 25 mM | 0.1133 mL | 0.5664 mL | 1.1328 mL | 2.8319 mL | |
| 30 mM | 0.0944 mL | 0.4720 mL | 0.9440 mL | 2.3599 mL | |
| 40 mM | 0.0708 mL | 0.3540 mL | 0.7080 mL | 1.7699 mL | |
| 50 mM | 0.0566 mL | 0.2832 mL | 0.5664 mL | 1.4159 mL | |
| 60 mM | 0.0472 mL | 0.2360 mL | 0.4720 mL | 1.1800 mL | |
| 80 mM | 0.0354 mL | 0.1770 mL | 0.3540 mL | 0.8850 mL | |
| 100 mM | 0.0283 mL | 0.1416 mL | 0.2832 mL | 0.7080 mL |
Ibacitabine Related Classifications
HY-W011138 Related Classifications
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Keywords
- Ibacitabine
- 611-53-0
- 5-Iodo-2'-deoxycytidine
- Cytidine Deaminase
- Amino Acid Derivatives
- DNA/RNA Synthesis
- host cell deoxycytidine kinases
- mammalian thymidine kinases
- HEp-2 cells
- baby hamster kidney cells
- herpes simplex virus
- IdUrd
- polyoma virus
- herpes simplex virus-induced pyrimidine deoxyribonucleoside kinase
- herpetic keratitis
- mitochondrial pyrimidine deoxyribonucleoside kinase
- Inhibitor
- inhibitor
- inhibit