| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
Bruton's tyrosine kinase (BTK), a member of the TEC family of non-receptor tyrosine kinases. Ibrutinib-biotin is a probe that consists of ibrutinib linked to biotin via a long-chain linker. The ibrutinib moiety retains its ability to bind to BTK with high affinity (IC50 of 0.755-1.02 nM), while the biotin moiety enables detection, pull-down, and purification using streptavidin-based methods. The TEC kinase family is composed of five members: TEC, BTK, ITK, BMX, and TXK/RLK.
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| ln Vitro |
Ibrutinib-biotin (compounds 1-5) is a component consisting of Ibrutinib connected to biotin via a lengthy linker. Ibrutinib is a TEC family topology. The TEC family consists of five members, TEC, BTK, ITK/EMT/TSK, BMX and TXK/RLK. The TEC family is engaged in phosphotyrosine-mediated and phospholipid-mediated signaling mechanisms. Many TEC family members are extensively expressed in hematopoietic tissues and play a crucial role in the development and moisture retention of blood cells [1].
In vitro, Ibrutinib-biotin functions as a potent BTK inhibitor with an IC50 of 0.755-1.02 nM. The compound retains the BTK-binding affinity of ibrutinib while incorporating a biotin moiety for detection and purification applications. It is used as a chemical probe in pull-down assays to identify BTK-interacting proteins and to study BTK signaling pathways. The biotin tag allows for streptavidin-mediated capture of the probe and its associated proteins from cell lysates. |
| ln Vivo |
In vivo studies of Ibrutinib-biotin are limited as the compound is primarily used as a research probe for in vitro applications. The compound is not intended for therapeutic use in animals or humans. Its in vivo effects would be expected to be similar to those of ibrutinib, which is an FDA-approved BTK inhibitor used for the treatment of various B-cell malignancies. However, the biotin moiety may alter the pharmacokinetic properties of the compound.
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| Enzyme Assay |
In vitro BTK kinase assays for Ibrutinib-biotin measure inhibition of BTK enzymatic activity. The assay uses recombinant human BTK kinase domain and a peptide substrate in the presence of ATP. The compound is serially diluted in assay buffer and pre-incubated with the enzyme for 15-30 minutes. The reaction is initiated by adding ATP and substrate, and after incubation, phosphorylation is detected using either radiometric (33P-ATP) or non-radiometric (HTRF, AlphaScreen, or ELISA) methods. IC50 values are calculated from dose-response curves.
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| Cell Assay |
In vitro pull-down assays using Ibrutinib-biotin are performed with cell lysates from BTK-expressing cells. Cells are lysed in lysis buffer containing protease and phosphatase inhibitors. Ibrutinib-biotin is added to the lysate and incubated for 1-2 hours at 4degC to allow binding to BTK and associated proteins. Streptavidin beads are then added to capture the biotinylated probe and its binding partners. After washing, bound proteins are eluted and analyzed by Western blotting or mass spectrometry to identify BTK-interacting proteins.
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| Animal Protocol |
In vivo animal studies for Ibrutinib-biotin are not typically performed as the compound is used as a research probe rather than a therapeutic agent. In vivo pharmacokinetic and pharmacodynamic studies are conducted with ibrutinib for its therapeutic use in B-cell malignancies. The biotinylated probe may be used in ex vivo analyses of tissues from ibrutinib-treated animals to study target engagement and pathway modulation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Ibrutinib-biotin would be expected to be different from those of ibrutinib due to the large biotin moiety. With a molecular weight of 1097.37 and a molecular formula of C56H80N12O9S, the compound is significantly larger than ibrutinib. It is soluble in DMSO at 50 mg/mL. The compound is stored as a powder at -20degC for up to 3 years or at 4degC for up to 2 years. Ibrutinib-biotin is not used therapeutically and pharmacokinetic studies are not typically performed for this probe.
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| Toxicity/Toxicokinetics |
Ibrutinib-biotin is intended for research use only and is not for human therapeutic or diagnostic use. Standard safety precautions for handling chemical compounds apply. No significant toxicity has been reported for this research probe. The compound is not approved for clinical use.
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| References | |
| Additional Infomation |
Ibrutinib-biotin is a research-grade chemical probe consisting of ibrutinib linked to biotin via a long-chain linker. It is extracted from patent WO2014059368A1 Compound 1-5 and has an IC50 of 0.755-1.02 nM for BTK. The probe has a molecular formula of C56H80N12O9S and a molecular weight of 1097.37. It is used in pull-down assays to study BTK signaling and identify BTK-interacting proteins. Not approved for clinical use.
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| Molecular Formula |
C56H80N12O9S
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|---|---|
| Molecular Weight |
1097.3744
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| Exact Mass |
1096.589
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| CAS # |
1599432-18-4
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| PubChem CID |
73507493
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| Appearance |
White to off-white solid powder
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| LogP |
3
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
15
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| Rotatable Bond Count |
35
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| Heavy Atom Count |
78
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| Complexity |
1830
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| Defined Atom Stereocenter Count |
4
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| SMILES |
S1C([H])([H])[C@@]2([H])[C@@]([H])([C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])N([H])C(C([H])([H])C([H])([H])C([H])([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])/C(/[H])=C(\[H])/C(N1C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C1([H])[H])N1C3C(=C(N([H])[H])N=C([H])N=3)C(C3C([H])=C([H])C(=C([H])C=3[H])OC3C([H])=C([H])C([H])=C([H])C=3[H])=N1)=O)=O)=O)=O)N([H])C(N2[H])=O
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| InChi Key |
MZBZKVGVMZPBPH-AQXPWDSUSA-N
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| InChi Code |
InChI=1S/C56H80N12O9S/c1-66(30-11-21-50(72)67-31-10-14-42(38-67)68-55-51(54(57)61-40-62-55)52(65-68)41-22-24-44(25-23-41)77-43-15-3-2-4-16-43)29-8-7-26-58-48(70)19-9-20-49(71)60-28-13-33-75-35-37-76-36-34-74-32-12-27-59-47(69)18-6-5-17-46-53-45(39-78-46)63-56(73)64-53/h2-4,11,15-16,21-25,40,42,45-46,53H,5-10,12-14,17-20,26-39H2,1H3,(H,58,70)(H,59,69)(H,60,71)(H2,57,61,62)(H2,63,64,73)/b21-11+/t42-,45+,46+,53+/m1/s1
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| Chemical Name |
N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide
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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 (~45.56 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.28 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 25.0 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: ≥ 2.5 mg/mL (2.28 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 25.0 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: ≥ 2.5 mg/mL (2.28 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 | 0.9113 mL | 4.5563 mL | 9.1127 mL | |
| 5 mM | 0.1823 mL | 0.9113 mL | 1.8225 mL | |
| 10 mM | 0.0911 mL | 0.4556 mL | 0.9113 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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