1. GPCR/G Protein Immunology/Inflammation Anti-infection
  2. CCR HIV CXCR
  3. TAK-779

TAK-779 is a potent and selective nonpeptide antagonist of CCR5 and CXCR3, with a Ki of 1.1 nM for CCR5, and effectively and selectively inhibits R5 HIV-1, with EC50 and EC90 of 1.2 nM and 5.7 nM, respectively, in MAGI-CCR5 cells.

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CAS No. : 229005-80-5

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Customer Review

Based on 11 publication(s) in Google Scholar

Top Publications Citing Use of Products

    TAK-779 purchased from MedChemExpress. Usage Cited in: Sci Adv. 2026 Feb 6;12(6):eaeb0455.

    HIEs were pretreated for 3 hours with the indicated concentrations of TAK-779 and then infected with GII.3 HuNoV (2.9 × 105 GEs per well) in the absence or presence of the same concentrations of TAK-779. After washing, the cells were cultured for 48 hours at 37°C in the absence or presence of TAK-779. Viral GEs at 1 and 48 hours postinfection were quantified by RT-qPCR.

    TAK-779 purchased from MedChemExpress. Usage Cited in: Sci Adv. 2026 Feb 6;12(6):eaeb0455.

    TAK-779 (15/30 μM). Monolayers of cells were fixed with methanol at 24 and 48 hours post-infection. GII.3 positive cells (green) were detected using guinea pig anti-human norovirus VLP antibody (green), and cell nuclei were detected using DAPI (blue). Representative images of each group at 48 hours post-infection are shown.

    TAK-779 purchased from MedChemExpress. Usage Cited in: Nature. 2025 Oct;646(8083):171-179.  [Abstract]

    Transwell migration assays with supernatant from LCLs with CCL3, CCL4 and CCL5 neutralizing antibodies or a CXCR3 and CCR5 antagonist (TAK-779: 3 μM).

    TAK-779 purchased from MedChemExpress. Usage Cited in: Adv Sci (Weinh). 2025 Oct 28:e16569.  [Abstract]

    TAK-779 (2 mg/kg). Representative spinal cord MRI images of the injured segments in SD rats from the treated and untreated groups. High-signal and low-signal areas are indicated in red and blue, respectively.

    TAK-779 purchased from MedChemExpress. Usage Cited in: Adv Sci (Weinh). 2025 Oct 28:e16569.  [Abstract]

    TAK-779 (2 mg/kg). Representative histological structures of spinal cord injury sites in SD rats treated with the specified therapy were assessed using hematoxylin-eosin staining, hedenhain staining, and anti-GFAP staining, and compared with untreated SD rats.

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    • Biological Activity

    • Protocol

    • Purity & Documentation

    • References

    • Customer Review

    Description

    TAK-779 is a potent and selective nonpeptide antagonist of CCR5 and CXCR3, with a Ki of 1.1 nM for CCR5, and effectively and selectively inhibits R5 HIV-1, with EC50 and EC90 of 1.2 nM and 5.7 nM, respectively, in MAGI-CCR5 cells.

    IC50 & Target[1][4]

    MIP-1α-CCR5

    1 nM (IC50, in CHO/CCR5 cells)

    MIP-1β-CCR5

    1 nM (IC50, in CHO/CCR5 cells)

    RANTES-CCR5

    1.4 nM (IC50, in CHO/CCR5 cells)

    MCP-1-CCR2b

    27 nM (IC50, in CHO/CCR5 cells)

    R5 HIV-1 (Ba-L)

    1.2 nM (EC50, in MAGI-CCR5 cells)

    R5 HIV-1 (KK)

    1.6 nM (EC50, in PBMCs)

    R5 HIV-1 (HHA)

    3.2 nM (EC50, in PBMCs)

    R5 HIV-1 (CTV)

    3.5 nM (EC50, in PBMCs)

    R5 HIV-1 (Ba-L)

    3.7 nM (EC50, in PBMCs)

    R5 HIV-1 (Ba-L)

    5.7 nM (EC90, in MAGI-CCR5 cells)

    R5 HIV-1 (HHA)

    7.5 nM (EC90, in PBMCs)

    R5 HIV-1 (Ba-L)

    12.8 nM (EC90, in PBMCs)

    R5 HIV-1 (KK)

    20.8 nM (EC90, in PBMCs)

    R5 HIV-1 (CTV)

    27 nM (EC90, in PBMCs)

    mCXCR3

    369 nM (IC50, in PBMCs)

    Cellular Effect
    Cell Line Type Value Description References
    CHO IC50
    0.027 μM
    Compound: 1r, TAK-779
    Inhibitory effect on the binding of [125I]- MCP-1 to C-C chemokine receptor type 2-expressing CHO cells
    Inhibitory effect on the binding of [125I]- MCP-1 to C-C chemokine receptor type 2-expressing CHO cells
    [PMID: 10821717]
    CHO IC50
    1.4 nM
    Compound: 1
    Displacement of [125I]RANTES from CCR5 expressed in CHO cells
    Displacement of [125I]RANTES from CCR5 expressed in CHO cells
    [PMID: 16539392]
    CHO IC50
    1.4 nM
    Compound: 2
    Inhibition of [125I]RANTES association with CCR5 expressed in CHO cells at 100 nM
    Inhibition of [125I]RANTES association with CCR5 expressed in CHO cells at 100 nM
    [PMID: 11931608]
    CHO IC50
    1.4 nM
    Compound: TAK-779
    Inhibition of CCL5 binding to CCR5 expressed in CHO cells
    Inhibition of CCL5 binding to CCR5 expressed in CHO cells
    [PMID: 21820898]
    CHO IC50
    28 nM
    Compound: 1, TAK-779
    Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells
    Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells
    [PMID: 19237282]
    CHO IC50
    > 10 μM
    Compound: 1r, TAK-779
    Inhibitory effect on the binding of [125I]- eotaxin to C-C chemokine receptor type 3- expressing CHO cells
    Inhibitory effect on the binding of [125I]- eotaxin to C-C chemokine receptor type 3- expressing CHO cells
    [PMID: 10821717]
    CHO IC50
    > 10 μM
    Compound: 1r, TAK-779
    Inhibitory effect on the binding of [125I]RANTES to C-C chemokine receptor type 1-expressing CHO cells
    Inhibitory effect on the binding of [125I]RANTES to C-C chemokine receptor type 1-expressing CHO cells
    [PMID: 10821717]
    CHO IC50
    > 10 μM
    Compound: 1r, TAK-779
    Inhibitory effect on the binding of [125I]TARC to C-C chemokine receptor type 4-expressing CHO cells
    Inhibitory effect on the binding of [125I]TARC to C-C chemokine receptor type 4-expressing CHO cells
    [PMID: 10821717]
    CHO-K1 IC50
    0.03 nM
    Compound: TAK-779
    Displacement of [125I]MCP1 from CCR2/CXCR4 expressed in CHOK1 cells
    Displacement of [125I]MCP1 from CCR2/CXCR4 expressed in CHOK1 cells
    [PMID: 17715128]
    CHO-K1 IC50
    0.08 nM
    Compound: TAK-779
    Displacement of [125I]SDF1alpha from CCR2/CXCR4 expressed in CHOK1 cells
    Displacement of [125I]SDF1alpha from CCR2/CXCR4 expressed in CHOK1 cells
    [PMID: 17715128]
    CHO-K1 IC50
    0.25 nM
    Compound: TAK-779
    Displacement of [125I]MCP1 from CCR2 expressed in CHOK1 cells
    Displacement of [125I]MCP1 from CCR2 expressed in CHOK1 cells
    [PMID: 17715128]
    COS-7 IC50
    1.4 nM
    Compound: 1
    Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
    Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
    [PMID: 16539392]
    HEK-293T EC50
    7 nM
    Compound: 1; TAK-779
    Positive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assay
    Positive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assay
    [PMID: 28463783]
    MOLT-4 IC50
    7.9 nM
    Compound: TAK-779
    Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
    Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
    [PMID: 21820898]
    PC-3 IC50
    37.85 μM
    Compound: 2, TAK-779
    Antiproliferative activity against human PC3 cells after 72 hrs by WST-1 assay
    Antiproliferative activity against human PC3 cells after 72 hrs by WST-1 assay
    [PMID: 24731275]
    U2OS IC50
    23 μM
    Compound: TAK779
    Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-arrestin recruitment pre-incubated for 10 mins before mouse CCL2 stimulation for 90 mins by luminescence based assay
    Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-arrestin recruitment pre-incubated for 10 mins before mouse CCL2 stimulation for 90 mins by luminescence based assay
    [PMID: 25766632]
    U2OS IC50
    6 nM
    Compound: TAK-779
    Antagonist activity at human TEV cleavage site-linked CCR5 expressed in human U2OS cells harboring beta-lactamase reporter gene assessed as inhibition of CCL3-induced beta-arrestin recruitment incubated for 30 mins followed by CCL3 stimulation and measured after 16 hrs by Tango assay
    Antagonist activity at human TEV cleavage site-linked CCR5 expressed in human U2OS cells harboring beta-lactamase reporter gene assessed as inhibition of CCL3-induced beta-arrestin recruitment incubated for 30 mins followed by CCL3 stimulation and measured after 16 hrs by Tango assay
    [PMID: 31742400]
    In Vitro

    TAK-779 is a potent and selective nonpeptide antagonist of CCR5, with a Ki of 1.1 nM, and effectively and selectively inhibits R5 HIV-1, with EC50 and EC90 of 1.2 nM and 5.7 nM, respectively, in MAGI-CCR5 cells. TAK-779 less potently blocks the binding of [125I]-monocyte chemotactic protein 1 to CCR2b in CHO/CCR2b cells, with an IC50 for CCR2b of 27 nM. TAK-779 also completely inhibits the binding of [125I]-RANTES to CHO/CCR5 cells with an IC50 of 1.4 nM. TAK-779 (20 nM) selectively inhibits CCR5-mediated Ca2+-signaling. In addition, TAK-779 shows no inhibition on X4 HIV-1 strains[1]. TAK-779 is an antagonist of CXCR3, and inhibits the migration of T cells but not T cell proliferation[2].

    MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

    In Vivo

    TAK-779 (10 mg/kg per day, s.c.) significantly prolongs the allograft survival of the rat intestinal transplantation model. TAK-779 also decreases the number of CD4+ as well as CD8+ T cells in spleen, blood and recipient mesenteric lymph nodes (MLN)[2]. TAK-779 (150 μg per mouse, s.c.) supppresses the development of experimental autoimmune encephalomyelitis (EAE) in myelin oligodendrocyte glycoprotein (MOG)-immunized C57BL/6 mice. TAK-779 decreases the infiltration of CXCR3 and CCR5 bearing leukocytes into the spinal cord. TAK-779 does not alter myelin oligodendrocyte glycoprotein (MOG)-specific immune responses or affect the potential of MOG-specific T cells to transfer experimental autoimmune encephalomyelitis (EAE)[3].

    MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

    Molecular Weight

    531.13

    Formula

    C33H39ClN2O2

    CAS No.
    Appearance

    Solid

    Color

    White to off-white

    SMILES

    C[N+](C)(CC1=CC=C(NC(C2=CC3=CC(C4=CC=C(C)C=C4)=CC=C3CCC2)=O)C=C1)C5CCOCC5.[Cl-]

    Shipping

    Room temperature in continental US; may vary elsewhere.

    Storage

    -20°C, sealed storage, away from moisture

    *In solvent : -80°C, 2 years; -20°C, 1 year (sealed storage, away from moisture)

    Solvent & Solubility
    In Vitro: 

    DMSO : ≥ 25 mg/mL (47.07 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

    H2O : 5 mg/mL (9.41 mM; ultrasonic and warming and heat to 60°C)

    *"≥" means soluble, but saturation unknown.

    Preparing
    Stock Solutions
    Concentration Solvent Mass 1 mg 5 mg 10 mg
    1 mM 1.8828 mL 9.4139 mL 18.8278 mL
    5 mM 0.3766 mL 1.8828 mL 3.7656 mL
    View the Complete Stock Solution Preparation Table

    * Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
    Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year (sealed storage, away from moisture). When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

    * Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

    • Molarity Calculator

    • Dilution Calculator

    Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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    Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

    This equation is commonly abbreviated as: C1V1 = C2V2

    Concentration (start)

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    In Vivo:

    Select the appropriate dissolution method based on your experimental animal and administration route.

    For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
    To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
    The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

    • Protocol 1

      Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% Saline

      Solubility: ≥ 2.58 mg/mL (4.86 mM); Clear solution

      This protocol yields a clear solution of ≥ 2.58 mg/mL (saturation unknown).

      Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

      Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
    • Protocol 2

      Add each solvent one by one:  10% DMSO    90% (20% SBE-β-CD in Saline)

      Solubility: ≥ 2.58 mg/mL (4.86 mM); Clear solution

      This protocol yields a clear solution of ≥ 2.58 mg/mL (saturation unknown).

      Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

      Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.

    For the following dissolution methods, please prepare the working solution directly. It is recommended to prepare fresh solutions and use them promptly within a short period of time.
    The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

    • Protocol 1

      Add each solvent one by one:  PBS

      Solubility: 50 mg/mL (94.14 mM); Clear solution; Need ultrasonic

    In Vivo Dissolution Calculator
    Please enter the basic information of animal experiments:

    Dosage

    mg/kg

    Animal weight
    (per animal)

    g

    Dosing volume
    (per animal)

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    Number of animals

    Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
    Please enter your animal formula composition:
    %
    DMSO +
    +
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    Saline
    Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
    The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
    Calculation results:
    Working solution concentration: mg/mL
    Method for preparing stock solution: mg drug dissolved in μL  DMSO (Stock solution concentration: mg/mL).

    *In solvent : -80°C, 2 years; -20°C, 1 year (sealed storage, away from moisture)

    The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).
    Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.
     If the continuous dosing period exceeds half a month, please choose this protocol carefully.
    Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
    Purity & Documentation

    Purity: 99.89%

    References
    Cell Assay
    [1]

    The anti-HIV-1 activities of the test compounds (TAK-779, etc.) are based on the inhibition of virus-induced infectious focus formation in MAGI-CCR5 cells and the reduction of p24 antigen production in PBMCs. In brief, MAGI-CCR5 cells (1 × 104 cells per well) are cultured in a microtiter tray. After a 24-h incubation at 37°C, the culture supernatants are replaced with fresh culture media containing the virus (≈300 focus forming units per well) and various concentrations of the test compounds (TAK-779, etc.). After a 2-day incubation, the cells are fixed and stained with 5-bromo-4-chloro-3-indolyl-β-d-galactosidase. The number of infected (blue) cells is counted microscopically. For the PBMC assays, phytohemagglutinin-stimulated PBMCs (2.5 × 105 cells per 500 μl) are infected with HIV-1 in the presence of various concentrations of the test compounds (TAK-779, etc.). The amounts of the virus used for infection are, depending on the replicability of each strain, generally 1-10 ng of p24 per 2.5 × 105 cells. After an overnight incubation at 37°C, the cells are washed extensively to remove unadsorbed viral particles and are incubated further with culture media containing the same concentrations of the compounds as those used during viral adsorption. On day 6 after viral infection, the culture supernatants are collected and determined for their p24 antigen levels with a sandwich ELISA kit. The cytotoxicities of the compounds are evaluated in parallel with their antiviral activities. They are based on the viability and proliferation of mock-infected cells[1].

    MCE has not independently confirmed the accuracy of these methods. They are for reference only.

    Animal Administration
    [3]

    Mice[3]
    The mice are immunized with MOG and are treated s.c. with TAK-779 or vehicle. The mice (N= 10) are injected s.c. with 150 µg TAK-779 (dissolved in 5% mannitol solution) in a volume of 100 µL, once daily after MOG immunization. TAK-779 injection is started from day 0 after immunization and continued once daily for 22 days. The dose of 150 µg is determined based on the observations in prior experiments that the dose of 50 µg per mouse can not produce inhibition, and a dose of more than 100 µg per mouse is required to produce significant inhibition. The dose of 150 µg per mouse has also been used in other mouse experimental models, and approximately the same dose is used in allograft rejection and asthma models. As a control, an equal volume of PBS containing 5% mannitol is injected daily in the control mice (N= 10)[3].

    MCE has not independently confirmed the accuracy of these methods. They are for reference only.

    References

    Complete Stock Solution Preparation Table

    * Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
    Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year (sealed storage, away from moisture). When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

    Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
    H2O / DMSO 1 mM 1.8828 mL 9.4139 mL 18.8278 mL 47.0695 mL
    5 mM 0.3766 mL 1.8828 mL 3.7656 mL 9.4139 mL
    DMSO 10 mM 0.1883 mL 0.9414 mL 1.8828 mL 4.7069 mL
    15 mM 0.1255 mL 0.6276 mL 1.2552 mL 3.1380 mL
    20 mM 0.0941 mL 0.4707 mL 0.9414 mL 2.3535 mL
    25 mM 0.0753 mL 0.3766 mL 0.7531 mL 1.8828 mL
    30 mM 0.0628 mL 0.3138 mL 0.6276 mL 1.5690 mL
    40 mM 0.0471 mL 0.2353 mL 0.4707 mL 1.1767 mL

    * Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

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      Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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