| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
The primary target of TAK-220 hydrochloride is the CC chemokine receptor 5 (CCR5), a G-protein coupled receptor that serves as a co-receptor for HIV-1 entry into host cells. It acts as a selective antagonist, blocking the binding of natural ligands RANTES and MIP-1α to CCR5. This prevents HIV-1 envelope-mediated fusion and viral entry.
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|---|---|
| ln Vitro |
In vitro, TAK-220 inhibits RANTES and MIP-1α binding to CCR5 with IC50 values of 3.5 nM and 1.4 nM, respectively. It selectively inhibits HIV-1 replication in PBMCs with EC50 values of 0.55-1.7 nM and EC90 values of 4-28 nM. It shows no activity against CCR1, CCR2b, CCR3, CCR4, or CCR7.
|
| ln Vivo |
In vivo, TAK-220 hydrochloride is orally bioavailable and shows anti-HIV activity in animal models. It is developed for the treatment of HIV-1 infection, particularly in patients with CCR5-tropic virus. Its pharmacokinetic profile supports once-daily oral dosing. Further clinical evaluation was conducted.
|
| Enzyme Assay |
For CCR5 binding assays, membranes from cells expressing recombinant CCR5 are incubated with [125I]RANTES or [125I]MIP-1α in the presence of TAK-220. Bound radioactivity is measured by filtration. IC50 values are determined from competition curves. Selectivity is assessed against other chemokine receptors.
|
| Cell Assay |
For antiviral assays, PBMCs are infected with CCR5-tropic HIV-1 strains and treated with TAK-220 at various concentrations. Viral replication is measured by p24 antigen ELISA or reverse transcriptase activity. EC50 values are determined from dose-response curves. Cell viability is assessed to determine selectivity index.
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| Animal Protocol |
For in vivo studies, humanized mice or non-human primates are infected with CCR5-tropic HIV-1. TAK-220 is administered orally at various doses. Viral load in plasma is measured by RT-PCR. CD4+ T cell counts are monitored. Blood samples are collected for pharmacokinetic analysis.
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| References |
|
| Molecular Formula |
C31H42CL2N4O3
|
|---|---|
| Molecular Weight |
589.596186161041
|
| Exact Mass |
588.263
|
| CAS # |
674782-27-5
|
| Related CAS # |
333994-00-6;674782-27-5 (TAK-220 HCl);
|
| PubChem CID |
70683272
|
| Appearance |
Typically exists as solid at room temperature
|
| tPSA |
87
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
9
|
| Heavy Atom Count |
40
|
| Complexity |
817
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
DEWDZIKZTNCQST-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C31H41ClN4O3.ClH/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38;/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38);1H
|
| Chemical Name |
1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
|
| Synonyms |
TAK-220 HCl TAK-220 hydrochloride TBR-220
|
| HS Tariff Code |
2934.99.9001
|
| 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 | 1.6961 mL | 8.4803 mL | 16.9607 mL | |
| 5 mM | 0.3392 mL | 1.6961 mL | 3.3921 mL | |
| 10 mM | 0.1696 mL | 0.8480 mL | 1.6961 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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