| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
HCV RNA replication (indirectly, as an impurity of sofosbuvir). Sofosbuvir impurity K is a diastereoisomer of sofosbuvir. Unlike sofosbuvir, which is an active inhibitor of HCV RNA replication, this impurity does not possess significant antiviral activity. It is primarily used as an analytical reference standard for the identification and quantification of impurities in sofosbuvir drug substance and drug products.
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|---|---|
| ln Vitro |
In vitro studies of Sofosbuvir impurity K are focused on its characterization as an impurity rather than its pharmacological activity. Unlike sofosbuvir, which demonstrates potent anti-hepatitis C virus activity in HCV replicon assays, this impurity does not exhibit significant antiviral activity. It is used as a reference standard in analytical chemistry applications including method development, method validation, and quality control.
|
| ln Vivo |
In vivo studies of Sofosbuvir impurity K are not typically performed as the compound is used as a reference standard and impurity. In vivo efficacy studies are conducted with sofosbuvir, which is an inhibitor of HCV RNA replication and is approved for the treatment of chronic HCV infection. The impurity K is controlled in pharmaceutical products to ensure quality and safety.
|
| Enzyme Assay |
In vitro assays for Sofosbuvir impurity K are primarily analytical rather than pharmacological. High-performance liquid chromatography (HPLC) and ultra-performance liquid chromatography (UPLC) methods are used for the detection and quantification of this impurity in sofosbuvir drug substance and drug products. Mass spectrometry (LC-MS/MS) is used for structural confirmation and identification. The compound is used as a reference standard in method development and validation studies following ICH guidelines for impurity control.
|
| Cell Assay |
In vitro cell-based assays for Sofosbuvir impurity K are not typically performed as the compound does not possess significant antiviral activity. Sofosbuvir itself is tested in HCV replicon assays to evaluate its antiviral activity, but the impurity K is not the active pharmaceutical ingredient. Cell-based assays for the impurity would be used only if there were concerns about its potential biological effects, which are not indicated for this diastereoisomer impurity.
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| Animal Protocol |
In vivo animal studies for Sofosbuvir impurity K are not typically performed as the compound is used as a reference standard and not as a pharmacological agent. In vivo pharmacokinetic and pharmacodynamic studies are conducted with sofosbuvir for its therapeutic use in HCV infection. The impurity K may be monitored in bioanalytical studies as part of impurity profiling in pharmacokinetic samples.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Sofosbuvir impurity K would be expected to be similar to those of sofosbuvir given their structural similarity as diastereoisomers. Sofosbuvir is a nucleotide analog prodrug that is metabolized to the active uridine analog triphosphate. The compound has a molecular weight of 545.91 and a molecular formula of C22H29ClN3O9P. The impurity K is not used therapeutically and pharmacokinetic studies are not typically performed for this impurity.
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| Toxicity/Toxicokinetics |
Toxicological data for Sofosbuvir impurity K are not extensively documented as the compound is used as a reference standard. Toxicity studies are conducted with sofosbuvir for its therapeutic use in HCV infection. The impurity K is controlled in pharmaceutical products to ensure quality and safety. Standard safety precautions for handling chemical compounds apply.
|
| Additional Infomation |
Not approved for clinical use.
|
| Molecular Formula |
C22H29CLN3O9P
|
|---|---|
| Molecular Weight |
545.907126188278
|
| Exact Mass |
545.132
|
| CAS # |
1496552-51-2
|
| PubChem CID |
117885113
|
| Appearance |
Light yellow to yellow solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Index of Refraction |
1.588
|
| LogP |
1.45
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
11
|
| Heavy Atom Count |
36
|
| Complexity |
913
|
| Defined Atom Stereocenter Count |
6
|
| SMILES |
C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)Cl)O)OC3=CC=CC=C3
|
| InChi Key |
SFPFZQKYPOWCSI-IQWMDFIBSA-N
|
| InChi Code |
InChI=1S/C22H29ClN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1
|
| Chemical Name |
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
|
| 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 : ~100 mg/mL (~183.18 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.58 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 (4.58 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 25.0 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: ≥ 2.5 mg/mL (4.58 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 | 1.8318 mL | 9.1590 mL | 18.3180 mL | |
| 5 mM | 0.3664 mL | 1.8318 mL | 3.6636 mL | |
| 10 mM | 0.1832 mL | 0.9159 mL | 1.8318 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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