| Size | Price | Stock | Qty |
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| 5mg |
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| Other Sizes |
| Targets |
The primary target of sofosbuvir-d6 is the HCV NS5B RNA-dependent RNA polymerase, the same target as the parent compound sofosbuvir. After cellular uptake, sofosbuvir is metabolized to the active uridine analogue triphosphate, which acts as a chain terminator during HCV RNA synthesis. The compound has high specificity for the HCV polymerase with minimal activity against human DNA and RNA polymerases. The deuterated form has the same mechanism of action as the parent compound.
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| ln Vitro |
In vitro antiviral activity of sofosbuvir-d6 is expected to be identical to that of sofosbuvir. Sofosbuvir potently inhibits HCV replication in cell culture systems, with EC₅₀ values in the low nanomolar range against HCV genotypes 1-6. The compound shows a high barrier to resistance and is active against many NS5B resistance-associated substitutions. Sofosbuvir-d6 is used as an internal standard in analytical methods rather than for biological activity studies.
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| ln Vivo |
In vivo efficacy of sofosbuvir-d6 is not studied as a therapeutic agent; the parent compound sofosbuvir has been extensively evaluated. Sofosbuvir has demonstrated high cure rates in clinical trials for chronic hepatitis C, both as monotherapy and in combination with other DAAs. The deuterated form is used in bioanalytical methods for quantifying sofosbuvir and its metabolites in biological samples. Sofosbuvir-d6 serves as a stable isotope-labeled internal standard.
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| Enzyme Assay |
For analytical method development, sofosbuvir-d6 is used as an internal standard for LC-MS/MS quantification of sofosbuvir and its metabolites in plasma, serum, or other biological matrices. The deuterated compound has identical chromatographic and mass spectrometric properties to the parent compound but can be distinguished by its mass shift. Standard protocols for bioanalytical method validation are followed according to regulatory guidelines (e.g., FDA or EMA).
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| Cell Assay |
Sofosbuvir-d6 is used in bioanalytical laboratories rather than in cell-based studies. For cell-based studies of antiviral activity, the parent compound sofosbuvir is used. Standard protocols for HCV replicon assays involve Huh7 cells harboring HCV subgenomic replicons. Cells are treated with serial dilutions of sofosbuvir, and HCV RNA replication is quantified by qRT-PCR or luciferase reporter assays. EC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
Sofosbuvir-d6 is not used in in vivo animal studies as a therapeutic agent. The parent compound sofosbuvir has been studied in animal models of HCV infection, though HCV primarily infects humans and chimpanzees. The deuterated form is used in pharmacokinetic studies as an internal standard for the quantification of sofosbuvir and its metabolites in animal samples. Standard protocols for animal pharmacokinetic studies can be adapted.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of sofosbuvir-d6 are identical to those of sofosbuvir. Sofosbuvir is well absorbed after oral administration and is rapidly metabolized to the active triphosphate and to the inactive metabolite GS-331007. The compound has a half-life that supports once-daily dosing. Sofosbuvir is eliminated primarily by renal excretion. Specific PK parameters such as Cmax, Tmax, AUC, half-life, and oral bioavailability have been extensively characterized.
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| Toxicity/Toxicokinetics |
The toxicological profile of sofosbuvir-d6 is identical to that of sofosbuvir. Sofosbuvir has a favorable safety profile based on extensive clinical data. Common adverse effects include headache, fatigue, and nausea. Rare but serious adverse effects include bradycardia when used with amiodarone. The compound is contraindicated in patients with severe renal impairment. Comprehensive toxicological data for sofosbuvir are available from regulatory submissions.
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| Additional Infomation |
Sofosbuvir-d6 is a stable isotope-labeled internal standard used in analytical chemistry for the quantification of sofosbuvir and its metabolites in biological samples. The deuterated compound is used in bioanalytical method development and validation, pharmacokinetic studies, and therapeutic drug monitoring. Sofosbuvir (the parent compound) is an FDA-approved drug for the treatment of chronic hepatitis C. Sofosbuvir-d6 is not a therapeutic agent and is not approved for clinical use.
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| Molecular Formula |
C22H29FN3O9P
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|---|---|
| Molecular Weight |
535.489500761032
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| Exact Mass |
535.2
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| CAS # |
1868135-06-1
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| Related CAS # |
Sofosbuvir;1190307-88-0;PSI-7976;1190308-01-0;Sofosbuvir impurity C;1496552-28-3;Sofosbuvir impurity A;1496552-16-9;Sofosbuvir-13C,d3
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| PubChem CID |
92044384
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| Appearance |
White to off-white solid powder
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| LogP |
1
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
36
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| Complexity |
913
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| Defined Atom Stereocenter Count |
6
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| SMILES |
C[C@]1([C@H](O)[C@@H](COP(=O)(N[C@@H](C)C(=O)OC(C([2H])([2H])[2H])C([2H])([2H])[2H])OC2C=CC=CC=2)O[C@H]1N1C=CC(=O)NC1=O)F
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| InChi Key |
TTZHDVOVKQGIBA-FMYNZQRGSA-N
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| InChi Code |
InChI=1S/C22H29FN3O9P/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/i1D3,2D3
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| Chemical Name |
1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
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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 | 1.8674 mL | 9.3372 mL | 18.6745 mL | |
| 5 mM | 0.3735 mL | 1.8674 mL | 3.7349 mL | |
| 10 mM | 0.1867 mL | 0.9337 mL | 1.8674 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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