| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
HIV-1 integrase (strand transfer step); no activity against human DNA polymerases α, β, and γ (IC50 >50 μM) or CYP2D6/CYP3A4 (IC50 >50 μM).
|
|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
Raltegravir inhibits integrase-catalyzed strand transfer with an IC50 of approximately 10 nM, close to the assay sensitivity limit. In single-cycle infection assays, it inhibited 23 HIV isolates representing 5 non-B subtypes and 5 circulating recombinant forms with IC50 values of 5–12 nM. It also inhibits PFV integrase (IC50 200 nM) and the S217H variant (IC50 900 nM). |
| ln Vivo |
In vivo, raltegravir is rapidly absorbed (Tmax ~3 h) with oral bioavailability of 62–70% in rats and dogs. Plasma half-life is short (≤1.6 h), with low (dog) to intermediate (rat) clearance. At 50 mg/kg in mice, plasma concentrations fall within the human therapeutic range. Metabolism is primarily by glucuronidation (UGT1A1), not hepatic CYP oxidation.
|
| Enzyme Assay |
Integrase strand transfer assays use purified recombinant HIV-1 integrase and a radiolabeled or fluorescent DNA substrate. Raltegravir (0.1–100 nM) is pre-incubated with the integrase–DNA complex, and strand transfer products are quantified by gel electrophoresis or fluorescence. Staged enzymatic assays confirm selectivity over 3′-processing.
|
| Cell Assay |
In vitro antiviral assays use peripheral blood mononuclear cells (PBMCs) or 293 cells infected with HIV-1 laboratory strains or clinical isolates. Raltegravir is serially diluted (0.1–100 nM), and viral replication is assessed by p24 ELISA or luciferase reporter activity after 5–7 days. Cytotoxicity is evaluated in parallel.
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| Animal Protocol |
Mouse or rat pharmacokinetic studies administer raltegravir by oral gavage at 10–50 mg/kg. Plasma and mucosal tissue samples are collected at defined time points, and raltegravir concentrations are quantified by LC-MS/MS using the d4-labeled internal standard. In humanized mouse models, viral load reduction is assessed in parallel with drug exposure.
|
| References |
| Molecular Formula |
C20H21FN6O5
|
|---|---|
| Molecular Weight |
444.416347265244
|
| Exact Mass |
448.18
|
| CAS # |
2712343-38-7
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| Related CAS # |
Raltegravir;518048-05-0
|
| PubChem CID |
163332191
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| Appearance |
Typically exists as solid at room temperature
|
| LogP |
1.1
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| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
32
|
| Complexity |
836
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(C(=C1CNC(=O)C2=C(C(=O)N(C(=N2)C(C)(C)NC(=O)C3=NN=C(O3)C)C)O)[2H])[2H])F)[2H]
|
| InChi Key |
CZFFBEXEKNGXKS-KDWZCNHSSA-N
|
| InChi Code |
InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)/i5D,6D,7D,8D
|
| Chemical Name |
N-[2-[5-hydroxy-1-methyl-6-oxo-4-[(2,3,5,6-tetradeuterio-4-fluorophenyl)methylcarbamoyl]pyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
|
| 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)
|
| 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 | 2.2501 mL | 11.2506 mL | 22.5012 mL | |
| 5 mM | 0.4500 mL | 2.2501 mL | 4.5002 mL | |
| 10 mM | 0.2250 mL | 1.1251 mL | 2.2501 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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