| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 250mg | |||
| 500mg | |||
| Other Sizes |
| Targets |
Entecavir-9 does not have a biological target; it is a synthetic intermediate used in the chemical synthesis of entecavir. Entecavir, the final pharmaceutical product, targets the hepatitis B virus (HBV) polymerase, inhibiting viral DNA replication. The intermediate is used to introduce protective benzyl groups during the synthesis of the nucleoside analog.
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|---|---|
| ln Vitro |
In vitro activity is not measured for Entecavir-9 as it is a synthetic intermediate and not pharmacologically active. Its utility is demonstrated through successful conversion to entecavir or other entecavir derivatives. The compound's chemical reactivity and stability under various reaction conditions are characterized in vitro.
|
| ln Vivo |
In vivo activity is associated with entecavir, the antiviral drug synthesized using this intermediate, rather than the compound itself. Entecavir demonstrates potent in vivo antiviral efficacy against HBV in animal models and clinical studies. The intermediate is not administered in vivo and has no therapeutic applications on its own.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to Entecavir-9. Standard characterization includes NMR spectroscopy (¹H, ¹³C) to confirm structure, HPLC to assess purity, and mass spectrometry for molecular weight confirmation. The compound is typically evaluated for its suitability as a synthetic intermediate in nucleoside analog synthesis.
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| Cell Assay |
In vitro cellular assays are not performed on Entecavir-9. The compound is used as a chemical reagent in organic synthesis rather than a biological test agent. Its primary evaluation involves chemical properties such as solubility in organic solvents, stability under storage conditions, and reactivity in coupling reactions.
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| Animal Protocol |
In vivo animal studies are not conducted on Entecavir-9. The compound is a synthetic intermediate used in the chemical synthesis of entecavir. Animal efficacy and toxicity studies are performed on the final entecavir product, which is administered orally in models of HBV infection. Therapeutic efficacy is assessed by viral load reduction and liver histopathology.
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| ADME/Pharmacokinetics |
Pharmacokinetic studies are not performed on Entecavir-9. The compound is a chemical intermediate and not a drug candidate. Its physicochemical properties, such as solubility and stability, are characterized for synthetic applications. The compound is soluble in DMSO (approximately 55 mg/mL).
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| Toxicity/Toxicokinetics |
Toxicological studies are not conducted on Entecavir-9. The compound is handled as a chemical reagent with standard laboratory precautions. Its safety data sheet indicates it is for research use only. Appropriate protective measures should be taken when handling, including the use of gloves and safety goggles.
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| Additional Infomation |
Entecavir-9 (CAS 142217-81-0) is a synthetic intermediate used in the production of entecavir, an antiviral drug for the treatment of hepatitis B virus infection. It is also known as 3',5'-di-O-benzyl entecavir. The compound is a useful organic compound for research related to life sciences. This product is for research use only and is not intended for human therapeutic use.
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| Molecular Formula |
C26H27N5O3
|
|---|---|
| Molecular Weight |
457.534
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| Exact Mass |
457.211
|
| CAS # |
142217-81-0
|
| PubChem CID |
135565404
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| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.3±0.1 g/cm3
|
| Index of Refraction |
1.679
|
| LogP |
3.97
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
34
|
| Complexity |
762
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
C=C1[C@H](C[C@@H]([C@H]1COCC2=CC=CC=C2)OCC3=CC=CC=C3)N4C=NC5=C4N=C(NC5=O)N
|
| InChi Key |
KROVOOOAPHSWCR-FKBYEOEOSA-N
|
| InChi Code |
InChI=1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1
|
| Chemical Name |
2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one
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| 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 |
| 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 : ~55 mg/mL (~198.35 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.75mg/ml (9.92mM) in 5%DMSO + 40%PEG300 + 5%Tween 80 + 50%ddH2O (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, Taking 1 mL of working solution as an example, take 50 μ L of clear DMSO stock solution at a concentration of 55mg/ml and add it to 400 μ L of EG300. Mix well to make it clear; Add 50 μ L Tween80 to the above system and mix evenly to clarify it; Then continue to add 500 μ L of ddH2O to a constant volume of 1mL. Solubility in Formulation 2: 0.34mg/ml (1.23mM) in 5% DMSO + 95% 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, Taking 1 mL of working solution as an example, take 50 μ Add 6.8mg/ml of clarified DMSO stock solution to 950 μ Mix evenly in L corn oil. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1856 mL | 10.9282 mL | 21.8565 mL | |
| 5 mM | 0.4371 mL | 2.1856 mL | 4.3713 mL | |
| 10 mM | 0.2186 mL | 1.0928 mL | 2.1856 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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