| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
BTK ligand 1 targets Bruton's tyrosine kinase (Btk). It is a ligand that can bind to Btk. This compound is used as a targeting moiety in the design of PROTACs, which are bifunctional molecules that recruit an E3 ubiquitin ligase to a target protein to induce its degradation. The ligand binds to the ATP-binding pocket of Btk, providing the targeting specificity for the PROTAC molecule.
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| ln Vitro |
BTK ligand 1 is a ligand that binds to Btk. Its in vitro activity is characterized by its ability to bind to Btk. It is not typically evaluated as a standalone inhibitor but as a component of PROTAC molecules. The compound can be combined with an E3 ligase ligand through a PROTAC linker to form a PROTAC. The binding affinity of the ligand to Btk is a key parameter in the design of effective PROTACs.
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| ln Vivo |
BTK ligand 1 is used as a building block for the synthesis of PROTACs. These PROTACs targeting Btk are designed to degrade the BTK protein and can be used in the study of chronic lymphocytic leukemia (CLL) and other B-cell malignancies. The in vivo activity is typically assessed for the resulting PROTAC molecules. The PROTACs induce degradation of BTK, leading to inhibition of BCR signaling and antitumor effects.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cell-based) assay for BTK ligand 1 involves assessing its binding affinity to BTK. Surface plasmon resonance or other biophysical methods are used to measure the binding affinity of the ligand to recombinant BTK. This confirms its ability to serve as a targeting ligand. The binding affinity (Kd) is determined from these assays.
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| Cell Assay |
The in vitro cell-based assay for BTK ligand 1 is typically performed as part of the characterization of the PROTAC molecules that incorporate it. Cells are treated with the PROTAC, and the degradation of BTK protein is measured by Western blotting. The ligand itself is not usually tested in cell-based assays as a standalone compound. The efficacy of the PROTAC is assessed by its ability to induce BTK degradation and inhibit downstream signaling.
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| Animal Protocol |
In vivo animal experiments for BTK ligand 1 are not typically performed for the ligand itself. Instead, the in vivo activity is evaluated for the PROTAC molecules that incorporate BTK ligand 1 as a targeting moiety. In xenograft models, the efficacy of BTK-degrading PROTACs is assessed by measuring tumor growth inhibition. The pharmacokinetic and pharmacodynamic properties of the PROTACs are evaluated in these studies.
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| ADME/Pharmacokinetics |
BTK ligand 1 has a molecular weight of 386.45 g/mol and a molecular formula of C22H22N6O. It has a purity of ≥98%. The compound is typically stored at -20°C. It is soluble in DMSO. It is typically used for research purposes only.
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| Toxicity/Toxicokinetics |
As a research compound, its safety profile is evaluated in standard cytotoxicity and acute toxicity assays. The compound is classified for research use only and is not intended for human therapeutic use. Comprehensive toxicological characterization would be required prior to any clinical development. The compound is typically handled with standard laboratory safety precautions.
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| References | |
| Additional Infomation |
BTK ligand 1 (CAS 330785-90-5) is a ligand that targets Bruton's tyrosine kinase (Btk). It has a molecular weight of 386.45 and a molecular formula of C22H22N6O. It is primarily used as a building block for the synthesis of PROTACs targeting Btk. It is not approved for clinical use and is available only for research purposes. The compound is also known as N-piperidine Ibrutinib.
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| Molecular Formula |
C22H22N6O
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|---|---|
| Molecular Weight |
386.45
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| Exact Mass |
386.185
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| CAS # |
330785-90-5
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| PubChem CID |
22347262
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
29
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| Complexity |
515
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CNCCC1N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
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| InChi Key |
LGWZZMCTBPCKHR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H22N6O/c23-21-19-20(15-6-8-18(9-7-15)29-17-4-2-1-3-5-17)27-28(22(19)26-14-25-21)16-10-12-24-13-11-16/h1-9,14,16,24H,10-13H2,(H2,23,25,26)
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| Chemical Name |
3-(4-phenoxyphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
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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) |
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 | 2.5877 mL | 12.9383 mL | 25.8766 mL | |
| 5 mM | 0.5175 mL | 2.5877 mL | 5.1753 mL | |
| 10 mM | 0.2588 mL | 1.2938 mL | 2.5877 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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