| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
| Targets |
5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine is an impurity rather than a therapeutic agent and does not have specific biological targets. It is structurally related to capecitabine, which is a prodrug that is converted to 5-fluorouracil (5-FU), a thymidylate synthase inhibitor. However, the impurity itself is not pharmacologically active and is used primarily as a reference standard.
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|---|---|
| ln Vitro |
5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine is not evaluated for in vitro biological activity as it is an impurity rather than a therapeutic agent. It serves as a reference standard for analytical method development, quality control, and impurity profiling of capecitabine. Its biological activity, if any, is not characterized.
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| ln Vivo |
Specific in vivo data for 5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine are not reported as the compound is an impurity rather than a therapeutic agent. It is not administered in vivo and is used only as a reference standard for analytical purposes.
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| Enzyme Assay |
The analytical characterization of 5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine is performed using chromatographic methods such as HPLC and LC-MS. For identity confirmation, the compound is analyzed by mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. Purity is assessed by HPLC with UV detection. The compound has a molecular formula of C₁₅H₂₂FN₃O₆ and a molecular weight of 359.35 g/mol.
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| Cell Assay |
5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine is not used in cellular assays as it is an impurity reference standard rather than a biologically active compound. If used in research, the compound would typically be dissolved in DMSO for analytical applications. The compound is typically stored at -20°C.
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| Animal Protocol |
In vivo studies for 5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine are not conducted as it is an impurity rather than a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine are not reported as it is an impurity reference standard. The compound has a molecular formula of C₁₅H₂₂FN₃O₆ and a molecular weight of 359.35 g/mol.
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| Toxicity/Toxicokinetics |
As a process impurity in capecitabine, the toxicological profile of 5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine would be evaluated as part of the overall impurity qualification strategy for the drug substance. The compound is typically present at low levels and its toxicity at these levels is considered acceptable based on ICH guidelines for drug impurities. The compound should be handled with appropriate safety precautions as it is a chemical research standard.
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| References | |
| Additional Infomation |
5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine is a nucleoside analog and impurity in capecitabine synthesis. Molecular formula: C₁₅H₂₂FN₃O₆, molecular weight: 359.35. No clinical applications exist. For research use only as an analytical reference standard.
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| Molecular Formula |
C15H22FN3O6
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|---|---|
| Molecular Weight |
359.35
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| Exact Mass |
359.149
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| CAS # |
162204-30-0
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| PubChem CID |
54201881
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Index of Refraction |
1.601
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| LogP |
0.78
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
25
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| Complexity |
594
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)NC(=O)OCCC(C)C)F)O)O
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| InChi Key |
PPVCPOIDSSQXMR-UORFTKCHSA-N
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| InChi Code |
InChI=1S/C15H22FN3O6/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
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| Chemical Name |
3-methylbutyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 2.7828 mL | 13.9140 mL | 27.8280 mL | |
| 5 mM | 0.5566 mL | 2.7828 mL | 5.5656 mL | |
| 10 mM | 0.2783 mL | 1.3914 mL | 2.7828 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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