| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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Purity: ≥98%
Vicriviroc maleate (formerly known as SCH 417690; SCH-D), the maleate salt of vicriviroc, is a novel, potent, selective, orally bioavailable and CNS penetrant antagonist of CCR5 entry inhibitor of HIV-1 with a Ki of 2.5 nM, and also inhibits HIV-1 in PBMC cells, with IC90s of 3.3 nM (JrFL), 2.8 nM (ADA-M), 1.8 nM (301657), 4.9 nM (JV1083) and 10 nM (RU 570). Vicriviroc can be administered once daily. Vicriviroc is recommended for once-daily use. Vicriviroc attaches itself to the CCR5 receptor's extracellular surface in a tiny hydrophobic pocket that lies between the transmembrane helices. When the virus binds to this pocket, the extracellular segment of CCR5 undergoes a conformational change that stops gp120 from binding to the target cell, thereby blocking the virus's entry into the target cell entirely.
| Targets |
CCR5; HIV-1; CCR5 ( Ki = 2.5 nM ); HIV-1 (301657) ( IC90 = 1.8 nM ); HIV-1 (ADA-M) ( IC90 = 2.8 nM ); HIV-1 (JrFL) ( IC90 = 3.3 nM ); HIV-1 (JV1083) ( IC90 = 4.9 nM ); HIV-1 (RU 570) ( IC90 = 10 nM )
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| Cell Assay |
For three to seven days, ficoll-purified peripheral blood mononuclear cells (PBMCs) are stimulated in vitro with 50 U/mL of interleukin-2 (IL-2) and 5 μg/mL of phytohemagglutinin (PHA). Following a 1-hour incubation period at 37°C with an equal volume of culture medium containing compound (Vicriviroc), the cells are resuspended at 4 × 106/mL in complete medium (RPMI, 10% fetal bovine serum [FBS], 50 U/mL IL-2), seeded into 96-well plates (2 × 105/well), and infected in triplicate using 25 to 100 50% tissue culture infectious doses (TCID50) per well of viral inoculum for three to four hours. After two rounds of washing in phosphate-buffered saline (PBS) to get rid of any remaining virus, the cells are cultured in the compound for four to six days. The extracellular p24 antigen in the supernatants is measured using an enzyme-linked immunosorbent assay to determine the amount of HIV-1 replication. With Graphpad PRISM software, the 50% effective concentrations (EC50s) and EC90s for each virus are calculated[2].
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| References |
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| Molecular Formula |
C32H42F3N5O6
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| Molecular Weight |
649.70098
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| Exact Mass |
649.31
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| Elemental Analysis |
C, 59.16; H, 6.52; F, 8.77; N, 10.78; O, 14.77
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| CAS # |
599179-03-0
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| Related CAS # |
306296-47-9; 541503-81-5 (malate); 599179-03-0; 541503-48-4 (HCl)
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| Appearance |
White to beige solid powder
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| SMILES |
C[C@H]1CN(CCN1[C@@H](COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C.C(=C\C(=O)O)\C(=O)O
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| InChi Key |
GXINKQQWHLIBJA-UCIBKFKQSA-N
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| InChi Code |
InChI=1S/C28H38F3N5O2.C4H4O4/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3;5-3(6)1-2-4(7)8/h6-9,18-19,24H,10-17H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24-;/m0./s1
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| Chemical Name |
(Z)-but-2-enedioic acid;(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone
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| Synonyms |
SCH417690; SCH 417690; SCH-417690; SCH-D
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
DMSO: 50~100 mg/mL (77~149.8 mM)
Water: ~100 mg/mL Ethanol: ~100 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.85 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 (3.85 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 (3.85 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 | 1.5392 mL | 7.6959 mL | 15.3917 mL | |
| 5 mM | 0.3078 mL | 1.5392 mL | 3.0783 mL | |
| 10 mM | 0.1539 mL | 0.7696 mL | 1.5392 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT00632073 | Completed | Drug: Vicriviroc | HIV Infections | Merck Sharp & Dohme LLC | March 2008 | Phase 1 |
| NCT00686829 | Completed | Drug: Vicriviroc maleate | HIV HIV Infections |
Merck Sharp & Dohme LLC | June 30, 2005 | Phase 2 |
| NCT00705419 | Completed | Drug: Vicriviroc maleate Drug: Placebo |
HIV Infections | Merck Sharp & Dohme LLC | July 2007 | N/A |
| NCT00243230 | Completed | Drug: Vicriviroc 30 mg Drug: Vicriviroc 20 mg |
HIV Infections | Merck Sharp & Dohme LLC | September 19, 2005 | Phase 2 |
| NCT00551330 | Completed | Drug: Vicriviroc Drug: Placebo |
HIV Infections Acquired Immunodeficiency Syndrome |
Merck Sharp & Dohme LLC | September 2007 | Phase 2 |
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