| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
TAK-020 targets BTK, a key kinase involved in B-cell receptor (BCR) signaling. By covalently binding to the catalytic cysteine residue of BTK, it irreversibly inhibits the kinase activity, blocking downstream signaling pathways that promote the survival and proliferation of B cells. This makes it a valuable therapeutic candidate for B-cell malignancies and autoimmune diseases.
|
|---|---|
| ln Vitro |
In vitro, TAK-020 has been shown to be a potent covalent inhibitor of BTK. Its inhibitory activity is assessed using kinase assays that measure the phosphorylation of a substrate in the presence of the compound. These in vitro studies confirm its potential as a therapeutic agent.
|
| ln Vivo |
In vivo, TAK-020 has demonstrated potential antitumor activity in animal models. Its ability to covalently bind to BTK provides sustained target inhibition. These in vivo studies support its development as a therapeutic agent for rheumatoid arthritis and immune-related diseases.
|
| Enzyme Assay |
Cell-free assays for TAK-020 typically involve measuring its inhibitory activity against BTK using a biochemical kinase assay. The compound's potency is determined by measuring the phosphorylation of a substrate in the presence of varying concentrations of the compound. These assays are used to characterize the compound's potency and selectivity against BTK.
|
| Cell Assay |
In vitro cellular assays are conducted to evaluate the functional activity of TAK-020. B-cell lines are treated with the compound, and BTK phosphorylation is measured to assess the inhibition of BCR signaling. Cell proliferation and apoptosis assays are used to evaluate the compound's anti-tumor activity. These assays confirm that TAK-020 effectively blocks BTK-mediated cellular responses.
|
| Animal Protocol |
In vivo animal experiments typically involve xenograft models of B-cell malignancies or models of autoimmune diseases. Animals are administered the compound via oral gavage or injection. Tumor growth or disease progression is monitored over time to assess efficacy. Pharmacokinetic studies are conducted to measure plasma concentrations of the compound.
|
| ADME/Pharmacokinetics |
The pharmacokinetic properties of TAK-020 are typical of a small molecule kinase inhibitor. Its molecular weight is 351.36, and its chemical formula is C18H17N5O3. The compound is designed to have favorable drug-like properties, including good oral bioavailability. Pharmacokinetic studies in animal models involve measuring plasma concentrations of the compound over time to determine its half-life, clearance, and volume of distribution.
|
| Toxicity/Toxicokinetics |
The toxicity profile of TAK-020 is not extensively documented, but it is likely to be similar to other BTK inhibitors. Common adverse effects may include diarrhea, fatigue, and infections. In preclinical studies, the compound has been shown to be well-tolerated at therapeutic doses, with a safety profile that supports its clinical development.
|
| References | |
| Additional Infomation |
TAK-020 is a clinical candidate that has been investigated in clinical trials for the treatment of rheumatoid arthritis and other immune-related diseases. It is a covalent BTK inhibitor developed by Takeda Pharmaceuticals. The compound is in the clinical development phase.
|
| Molecular Formula |
C18H17N5O3
|
|---|---|
| Molecular Weight |
351.359283208847
|
| Exact Mass |
351.133
|
| CAS # |
1627603-21-7
|
| PubChem CID |
136286736
|
| Appearance |
White to off-white solid powder
|
| LogP |
2
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
26
|
| Complexity |
622
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
O(C1C2C=CC=CC=2C=C(C2=NNC(N2)=O)N=1)[C@@H]1CN(C(C=C)=O)CC1
|
| InChi Key |
HIMUHMBGRATXMK-LBPRGKRZSA-N
|
| InChi Code |
InChI=1S/C18H17N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2,(H2,20,21,22,25)/t12-/m0/s1
|
| Chemical Name |
3-[1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]oxyisoquinolin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
|
| 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) |
DMSO: 20.83 mg/mL (59.28 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (4.75 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 16.7 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: ≥ 1.67 mg/mL (4.75 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 16.7 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: ≥ 1.67 mg/mL (4.75 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 | 2.8461 mL | 14.2304 mL | 28.4608 mL | |
| 5 mM | 0.5692 mL | 2.8461 mL | 5.6922 mL | |
| 10 mM | 0.2846 mL | 1.4230 mL | 2.8461 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.
Link: https://clinicaltrials.gov/ct2/show/NCT02413255
Conditions:Healthy VolunteersProducts are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
