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| 10mg |
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| 25mg |
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| 50mg |
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Purity: ≥98%
Darunavir Ethanolate (DRV, TMC-114; UIC-94017; Trade name: Prezista), the ethanolate salt of darunavir, is a nonpeptidic HIV protease inhibitor/PI used in combination with other HIV medications to control HIV infection. For the treatment and prevention of HIV/AIDS infection, darunavir received FDA approval in 2006. For adults and adolescents who are new to treatment as well as those who have experience with it, the Office of AIDS Research Advisory Council (OARAC) recommends darunavir. The molecule was discovered at the University of Illinois at Chicago by chemist Arun K. Ghosh, who is currently a professor at Purdue University. The pharmaceutical company Tibotec developed the product, which bears his name. The usual recommendation is to use darunavir in combination with other antiretrovirals. To raise levels of darunavir, it is frequently combined with low dosages of cobicistat or ritonavir. Once a needlestick injury or other possible exposure occurs, it may be used as preventative. One to two doses per day are taken orally.
| Targets |
HIV-1
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| ln Vitro |
Darunavir is a potent, broad-spectrum inhibitor that is active against clinical isolates of HIV-1 while posing little cytotoxicity. The conserved main-chain atoms of the protease, Asp29 and Asp30, are joined by hydrogen bonds by darunavir. It is suggested that these interactions are essential to the compound's effectiveness against HIV isolates that exhibit resistance to multiple protease inhibitors[1]. In an in vitro investigation using MT-2 cells, darunavir demonstrates higher potency compared to saquinavir, amprenavir, nelfinavir, indinavir, lopinavir, and ritonavir. The hepatic cytochrome P450 (CYP) enzymes, particularly CYP3A, are primarily responsible for the metabolism of darunavir. The "boosting" dose of ritonavir increases the bioavailability of darunavir by inhibiting CYP3A[2].
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| ln Vivo |
Darunavir has a 37% oral bioavailability and is effective against both PI-resistant and wild-type HIV. The bioavailability is raised to 82% when taken in conjunction with ritonavir[3].
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| Enzyme Assay |
Darunavir has a Ki for HIV-1 protease of 1 nM in the wild type.
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| Cell Assay |
Darunavir has been shown to have higher potency than saquinavir, amprenavir, nelfinavir, indinavir, lopinavir, and ritonavir in an in vitro study using MT-2 cells. The main hepatic cytochrome P450 (CYP) enzyme responsible for darunavir metabolism is CYP3A. The "boosting" dose of ritonavir increases the bioavailability of darunavir by inhibiting CYP3A.
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| References |
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| Molecular Formula |
C29H43N3O8S
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|---|---|
| Molecular Weight |
593.73
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| Exact Mass |
593.28
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| Elemental Analysis |
C, 58.67; H, 7.30; N, 7.08; O, 21.56; S, 5.40
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| CAS # |
635728-49-3
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| Related CAS # |
Darunavir;206361-99-1
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| Appearance |
Solid powder
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| SMILES |
CCO.CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
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| InChi Key |
QWSHKNICRJHQCY-VBTXLZOXSA-N
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| InChi Code |
InChI=1S/C27H37N3O7S.C2H6O/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26;1-2-3/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);3H,2H2,1H3/t22-,23-,24+,25-,26+;/m0./s1
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| Chemical Name |
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate;ethanol
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| Synonyms |
Darunavir Ethanolate; TMC-114 Ethanolate; TMC114 Ethanolate; TMC 114 Ethanolate; UIC-94017 Ethanolate; UIC 94017 Ethanolate; UIC94017 Ethanolate; Trade name: Prezista
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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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.21 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 (4.21 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 (4.21 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 | 1.6843 mL | 8.4213 mL | 16.8427 mL | |
| 5 mM | 0.3369 mL | 1.6843 mL | 3.3685 mL | |
| 10 mM | 0.1684 mL | 0.8421 mL | 1.6843 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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