TAK-779 (Synonyms: Takeda 779)

Name: TAK-779
Brand: MedChemExpress
SKU: HY-13406
Rating: 5.0 (2 reviews)

Cat. No.: HY-13406 Purity: 99.50%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

TAK-779 is a potent and selective nonpeptide antagonist of CCR5 and CXCR3, with a K_i 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.

For research use only. We do not sell to patients.

TAK-779 Chemical Structure

CAS No. : 229005-80-5

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 129	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 129	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 110	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 170	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 520	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 830	In-stock	Estimated Time of Arrival: December 31
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500 mg		Get quote

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Customer Review

Based on 2 publication(s) in Google Scholar

2 Publications Citing Use of MCE TAK-779

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CCR1 CCR2 CCR3 CCR4 CCR5 CCR6 CCR7 CCR8 CCR9

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HIV HIV-1 HIV-2

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CXCR CXCR1 CXCR2 CXCR3 CXCR4 CXCR7 CXCR6

Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

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
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 ba 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 ba	[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 measure 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 measure	[PMID: 31742400]

In Vitro

TAK-779 is a potent and selective nonpeptide antagonist of CCR5, with a K_i 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.

229005-80-5

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 : 16.66 mg/mL (31.37 mM; Need ultrasonic and warming)

*"≥" 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
10 mM	0.1883 mL	0.9414 mL	1.8828 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)

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.58 mg/mL (4.86 mM); Clear solution

This protocol yields a clear solution of ≥ 2.58 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.8 mg/mL) to 900 μL Corn oil, and mix evenly.

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)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Calculation results:

Working solution concentration: mg/mL

This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.

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).

Purity & Documentation

Purity: 99.73%

Select Batch:

Data Sheet (282 KB) SDS (252 KB)

COA (250 KB) HNMR (209 KB) LCMS (477 KB)

Handling Instructions (2659 KB)

References

[1]. Baba M, et al. A small-molecule, nonpeptide CCR5 antagonist with highly potent and selective anti-HIV-1 activity. Proc Natl Acad Sci U S A. 1999 May 11;96(10):5698-703. [Content Brief]

[2]. Takama Y, et al. Effects of a calcineurin inhibitor, FK506, and a CCR5/CXCR3 antagonist, TAK-779, in a rat small intestinal transplantation model. Transpl Immunol. 2011 Jul;25(1):49-55. [Content Brief]

[3]. Ni J, et al. The chemokine receptor antagonist, TAK-779, decreased experimental autoimmune encephalomyelitis by reducing inflammatory cell migration into the central nervous system, without affecting T cell function. Br J Pharmacol. 2009 Dec;158(8):2046-56. [Content Brief]

[4]. Gao P, et al. The unique target specificity of a nonpeptide chemokine receptor antagonist: selective blockade of two Th1 chemokine receptors CCR5 and CXCR3. J Leukoc Biol. 2003 Feb;73(2):273-80. [Content Brief]

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	[1]. Baba M, et al. A small-molecule, nonpeptide CCR5 antagonist with highly potent and selective anti-HIV-1 activity. Proc Natl Acad Sci U S A. 1999 May 11;96(10):5698-703. [Content Brief] [2]. Takama Y, et al. Effects of a calcineurin inhibitor, FK506, and a CCR5/CXCR3 antagonist, TAK-779, in a rat small intestinal transplantation model. Transpl Immunol. 2011 Jul;25(1):49-55. [Content Brief] [3]. Ni J, et al. The chemokine receptor antagonist, TAK-779, decreased experimental autoimmune encephalomyelitis by reducing inflammatory cell migration into the central nervous system, without affecting T cell function. Br J Pharmacol. 2009 Dec;158(8):2046-56. [Content Brief] [4]. Gao P, et al. The unique target specificity of a nonpeptide chemokine receptor antagonist: selective blockade of two Th1 chemokine receptors CCR5 and CXCR3. J Leukoc Biol. 2003 Feb;73(2):273-80. [Content Brief]

Complete Stock Solution Preparation Table

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
	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
DMSO	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.

TAK-779 Related Classifications

Inflammation/Immunology Infection Endocrinology

Help & FAQs

Do most proteins show cross-species activity?
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.

Keywords:

TAK-779229005-80-5Takeda 779TAK779TAK 779Takeda779Takeda-779CCRHIVCXCRCC chemokine receptorHuman immunodeficiency virusCXC chemokine receptorsC-X-C motif chemokine receptorsInhibitorinhibitorinhibit

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TAK-779 (Synonyms: Takeda 779)

Customer Review

TAK-779 Related Antibodies

2 Publications Citing Use of MCE TAK-779

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Biological Activity

Protocol

Purity & Documentation

References

Customer Review

TAK-779 Related Antibodies

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Dilution Calculator

Complete Stock Solution Preparation Table

TAK-779 Related Classifications

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