| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
TAK1/MAP4K2 inhibitor 1 targets two kinases: TAK1 (transforming growth factor β-activated kinase 1, also known as MAP3K7) and MAP4K2 (mitogen-activated protein kinase kinase kinase kinase 2). TAK1 is a member of the MAP3K family that plays a critical role in multiple signaling pathways, including NF-κB, JNK, and p38 MAPK pathways, which are activated by pro-inflammatory cytokines such as TNF-α and IL-1β, as well as by Toll-like receptor ligands. MAP4K2 is a member of the STE20 kinase family and is involved in various signaling pathways including the regulation of the Hippo pathway and JNK signaling. The compound inhibits TAK1 with an IC50 of 41.1 nM and MAP4K2 with an IC50 of 18.2 nM.
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| ln Vitro |
TAK1/MAP4K2 inhibitor 1 demonstrates potent in vitro activity against both TAK1 and MAP4K2. The compound inhibits TAK1 with an IC50 of 41.1 nM and MAP4K2 with an IC50 of 18.2 nM. The dual inhibition of these two kinases allows for the interrogation of overlapping and distinct signaling pathways. TAK1 is a key regulator of inflammatory responses, while MAP4K2 is involved in the regulation of the Hippo pathway and JNK signaling. The compound's potent activity against both targets makes it a valuable tool for studying the roles of these kinases in cellular signaling, inflammation, and cancer. Detailed cellular activity data, including effects on downstream signaling pathways, are available in the primary literature.
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| ln Vivo |
The intermediate terminal elimination half-life of TAK1/MAP4K2 inhibitor 1 (1 mg/kg, i.v.) in mice is 2.94 hours [1].
In vivo efficacy data for TAK1/MAP4K2 inhibitor 1 are not extensively documented in publicly available sources. Based on its potent inhibition of TAK1 and MAP4K2, the compound is expected to have potential utility in inflammatory and cancer models. TAK1 is a well-validated target for inflammatory diseases and cancer, and MAP4K2 has also been implicated in cancer and other diseases. The compound's dual inhibition profile may offer advantages over selective inhibitors by blocking multiple pathways simultaneously. Further in vivo studies are needed to fully characterize the compound's therapeutic potential, including its efficacy in disease models, pharmacokinetic properties, and safety profile. |
| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cell-based) assay for TAK1/MAP4K2 inhibitor 1 measures the inhibition of TAK1 and MAP4K2 kinase activities. Recombinant human TAK1 or MAP4K2 enzymes are incubated with varying concentrations of the compound (typically ranging from nanomolar to micromolar) in the presence of ATP and a peptide substrate. The kinase reaction is allowed to proceed for a fixed period, and the extent of substrate phosphorylation is quantified using techniques such as fluorescence polarization, luminescence-based kinase assays, or radiometric measurement. IC50 values are determined by fitting dose-response curves to the inhibition data. The compound is dissolved in DMSO and diluted in assay buffer to achieve the desired final concentrations, with DMSO concentration kept constant across all wells. Appropriate positive controls (known TAK1 or MAP4K2 inhibitors) and negative controls (DMSO vehicle) are included in each assay run.
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| Cell Assay |
The in vitro cellular assay for TAK1/MAP4K2 inhibitor 1 is performed using cells that respond to TAK1 and MAP4K2 signaling, such as immune cells or cancer cell lines. Cells are cultured in appropriate medium and treated with varying concentrations of the compound or vehicle control (DMSO). Cells are stimulated with appropriate agonists (e.g., IL-1β or TNF-α for TAK1 activation) to activate downstream signaling pathways. The phosphorylation status of downstream targets (e.g., JNK, p38, NF-κB) is assessed by Western blotting using phospho-specific antibodies. Cell proliferation and viability are assessed using assays such as MTT or CellTiter-Glo. Dose-response relationships are established by analyzing the inhibition of downstream signaling and cell viability across different compound concentrations.
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| Animal Protocol |
In vivo animal experiments with TAK1/MAP4K2 inhibitor 1 are not extensively described in publicly available sources. Based on its in vitro activity, potential in vivo studies would likely use mouse models of inflammatory diseases (e.g., colitis, arthritis) or cancer xenograft models. The compound would be administered via oral gavage or intraperitoneal injection at various doses. Disease progression would be monitored using appropriate endpoints (e.g., clinical scores, tumor volume). At study endpoint, tissues would be harvested for analysis of TAK1 and MAP4K2 target engagement, downstream signaling, and markers of inflammation or proliferation. The compound's efficacy would be evaluated by comparing disease severity or tumor growth in treated versus control groups.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic (PK) parameters for TAK1/MAP4K2 inhibitor 1 are not extensively documented in publicly available sources. As a small-molecule kinase inhibitor with a molecular weight of 552.59, the compound is expected to have reasonable oral bioavailability. The compound has a chemical formula of C29H31F3N6O2. For in vivo administration, the compound would need to be formulated using appropriate vehicles to ensure adequate solubility and stability. The compound should be stored under conditions recommended by the manufacturer to maintain stability and prevent degradation. Detailed PK parameters including half-life, clearance, volume of distribution, and maximum concentration (Cmax) are not available from the current search results and would require consultation of the primary literature.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for TAK1/MAP4K2 inhibitor 1 are not extensively documented in publicly available sources. As a research-grade compound, TAK1/MAP4K2 inhibitor 1 is intended for laboratory research purposes only and is not approved for human therapeutic use. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment and working in a well-ventilated area. The compound should be stored according to the manufacturer's recommendations to maintain stability and prevent degradation. Comprehensive toxicological profiling (e.g., LD50, maximum tolerated dose, organ-specific toxicity) is not available from the current search results and would require consultation of the primary literature or safety data sheets.
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| References | |
| Additional Infomation |
TAK1/MAP4K2 inhibitor 1 is a research compound developed for studying the roles of TAK1 and MAP4K2 in cellular signaling, inflammation, and cancer. The compound is a highly potent dual inhibitor with IC50 values of 41.1 nM for TAK1 and 18.2 nM for MAP4K2. TAK1 is a key regulator of inflammatory responses, while MAP4K2 is involved in the regulation of the Hippo pathway and JNK signaling. The compound's dual inhibition profile makes it a valuable tool for dissecting the overlapping and distinct functions of these two kinases. TAK1/MAP4K2 inhibitor 1 is not currently in clinical trials nor approved for therapeutic use; it remains an investigational tool compound for preclinical research. The compound is available from various chemical suppliers for research purposes.
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| Molecular Formula |
C29H31N6O2F3
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| Molecular Weight |
552.59064
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| Exact Mass |
552.246
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| CAS # |
1315330-11-0
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| PubChem CID |
71254032
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| Appearance |
White to light yellow solid powder
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| LogP |
6.035
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
40
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| Complexity |
841
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
RWNAOXLCVXJMGM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H31F3N6O2/c1-4-37-9-11-38(12-10-37)16-21-7-8-22(15-24(21)29(30,31)32)36-27(39)20-6-5-18(2)25(14-20)40-28-23-13-19(3)35-26(23)33-17-34-28/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,36,39)(H,33,34,35)
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| Chemical Name |
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]benzamide
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| Synonyms |
TAK1/MAP4K2 inhibitor 1; TAK 1/MAP4K2 inhibitor 1; TAK-1/MAP4K2 inhibitor 1
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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) |
DMSO : ~50 mg/mL (~90.48 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.75 mg/mL (4.98 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 27.5 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: ≥ 2.75 mg/mL (4.98 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 27.5 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8097 mL | 9.0483 mL | 18.0966 mL | |
| 5 mM | 0.3619 mL | 1.8097 mL | 3.6193 mL | |
| 10 mM | 0.1810 mL | 0.9048 mL | 1.8097 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.
 Compound1is a type II inhibitor.J Med Chem. 2015 Jan 8;58(1):183-96. |
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 Evaluation of the ability of compounds to inhibit IL-1α, LPS, or CL097-induced phosphorylation of p105, p38, and JNK in several cell types.J Med Chem. 2015 Jan 8;58(1):183-96. |
 Evaluation of signaling following depletion of MAP4Ks by siRNA and evaluation of the ability of selective MAP4K2 inhibitors16and17to inhibit signaling in wild-type and TAK1-null MEF cells.J Med Chem. 2015 Jan 8;58(1):183-96. |
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