| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Hydroxy ritonavir is a metabolite that retains the pharmacological activity of its parent drug, ritonavir. Ritonavir is a potent inhibitor of the HIV protease enzyme, which is essential for the maturation of the HIV virus. By inhibiting this enzyme, both ritonavir and its hydroxy metabolite block the cleavage of viral polyproteins, leading to the production of immature, non-infectious viral particles. The metabolite is an active species in the body.
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| ln Vitro |
In vitro, hydroxy ritonavir, like the parent drug ritonavir, functions as an inhibitor of the HIV protease enzyme. Its inhibitory activity is studied to determine its contribution to the overall antiviral effect. In addition to its anti-HIV activity, it also inhibits drug-metabolizing enzymes, particularly CYP3A4, which is the primary mechanism for its use as a "boosting" agent in combination therapy.
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| ln Vivo |
In vivo, hydroxy ritonavir is an active and pharmacologically relevant metabolite of ritonavir. It contributes to the overall antiviral efficacy of the drug and, like its parent, is a potent inhibitor of the CYP3A4 enzyme. This CYP3A4 inhibition is the reason ritonavir is used in low doses to "boost" the plasma levels of other HIV protease inhibitors (e.g., lopinavir, atazanavir). The metabolite plays a role in this boosting effect.
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| Enzyme Assay |
Hydroxy ritonavir is used as an analytical standard for non-cellular assays. For LC-MS method development, a stock solution is prepared by dissolving the standard in an organic solvent like methanol or DMSO. A fixed, known amount of this standard is spiked into biological samples (e.g., plasma, urine, or microsomal incubations) before any sample preparation steps. After protein precipitation or extraction, the sample is analyzed by LC-MS/MS, and the signal from the unlabeled hydroxy ritonavir is compared to the signal from the standard.
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| Cell Assay |
For in vitro cellular experiments, Hydroxy ritonavir is used as an analytical standard to quantify the unlabeled metabolite in cellular samples. For example, primary human hepatocytes are incubated with ritonavir. At various time points, the reaction is stopped, and a fixed amount of the Hydroxy ritonavir standard is added to the sample. The sample is then processed and analyzed by LC-MS to measure the amount of this metabolite formed, providing a direct measure of CYP3A4 metabolic activity in that cellular model.
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| Animal Protocol |
For in vivo animal experiments, Hydroxy ritonavir is not administered to animals for efficacy. It is used as an analytical standard to measure the concentration of the unlabeled metabolite in samples from animal studies. For example, in a pharmacokinetic (PK) study, rats or dogs are administered ritonavir. Blood plasma is collected at multiple time points. The analytical standard is used in LC-MS analysis to quantify the levels of hydroxy ritonavir in the plasma, generating a concentration-time curve. This data is critical for determining the metabolic clearance of the drug.
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| ADME/Pharmacokinetics |
Hydroxy ritonavir is an active metabolite of ritonavir, so its pharmacokinetic parameters (half-life, Cmax, AUC) are derived from the parent drug. Ritonavir has a complex pharmacokinetic profile, characterized by a short terminal half-life (3-5 hours) but a high oral bioavailability. The metabolite generally follows the same disposition pattern as the parent drug. The standard is used to precisely characterize these parameters.
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| Toxicity/Toxicokinetics |
Ritonavir and its hydroxy metabolite are generally well-tolerated at therapeutic doses but are associated with significant gastrointestinal side effects, hepatotoxicity, and metabolic disturbances (e.g., lipid abnormalities). As an analytical standard, hydroxy ritonavir is handled in very small, non-toxic quantities. Standard laboratory safety precautions for handling potent pharmaceuticals should be observed.
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| References | |
| Additional Infomation |
Hydroxyritonavir is an N-acyl amino acid.
Hydroxy ritonavir is not an approved drug in its own right. It is an active metabolite of the prescription drug ritonavir, which is marketed under the brand name Norvir. Ritonavir is a critical component of highly active antiretroviral therapy (HAART) for HIV infection. This standard is used for research to optimize HIV therapy, study drug-drug interactions, and conduct bioequivalence studies for generic formulations of ritonavir and other protease inhibitors. |
| Molecular Formula |
C37H48N6O6S2
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|---|---|
| Molecular Weight |
736.94
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| Exact Mass |
736.308
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| CAS # |
176655-56-4
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| PubChem CID |
71749331
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| Appearance |
White to off-white solid powder
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| LogP |
6.258
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
18
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| Heavy Atom Count |
51
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| Complexity |
1090
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| Defined Atom Stereocenter Count |
4
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| SMILES |
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)N(C)CC4=CSC(=N4)C(C)(C)O
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| InChi Key |
CLEDZMPJHBBTNZ-QJANCWQKSA-N
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| InChi Code |
InChI=1S/C37H48N6O6S2/c1-24(2)32(42-35(46)43(5)20-28-22-50-34(40-28)37(3,4)48)33(45)39-27(16-25-12-8-6-9-13-25)18-31(44)30(17-26-14-10-7-11-15-26)41-36(47)49-21-29-19-38-23-51-29/h6-15,19,22-24,27,30-32,44,48H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t27-,30-,31-,32-/m0/s1
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| Chemical Name |
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-1,6-diphenylhexan-2-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 | 1.3570 mL | 6.7848 mL | 13.5696 mL | |
| 5 mM | 0.2714 mL | 1.3570 mL | 2.7139 mL | |
| 10 mM | 0.1357 mL | 0.6785 mL | 1.3570 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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