| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| Other Sizes |
| Targets |
3BrB-PP1 targets specific kinases, likely through binding to the ATP-binding pocket of the kinase domain. As a derivative of PP1, it may exhibit selectivity for certain kinases, making it useful for studying specific signaling pathways. The compound's bromine substitution may enhance its binding affinity or selectivity for particular kinase targets.
|
|---|---|
| ln Vitro |
In vitro kinase inhibition assays for 3BrB-PP1 typically involve testing its activity against a panel of kinases. Kinase activity is measured using appropriate substrates and detection methods. IC50 values are determined from dose-response curves. The compound's selectivity profile is assessed by testing against multiple kinases. These in vitro findings support its applications in kinase signaling research.
|
| ln Vivo |
In vivo studies of 3BrB-PP1 are limited as the compound is primarily used as a research tool for in vitro and cellular studies. Its kinase inhibitory activity suggests potential for in vivo evaluation in models of kinase-driven diseases. However, comprehensive in vivo pharmacological studies specifically targeting 3BrB-PP1 are not well documented. The compound is intended for research use only.
|
| Enzyme Assay |
In vitro kinase inhibition assays for 3BrB-PP1 involve testing its activity against target kinases. Kinase activity is measured using radiometric, fluorometric, or luminescent methods. IC50 values are determined from dose-response curves. The compound's selectivity is assessed by testing against a panel of kinases. The compound's purity and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry.
|
| Cell Assay |
In vitro cell-based assays for 3BrB-PP1 involve culturing cells to evaluate its effects on kinase signaling pathways. Cells are treated with varying concentrations of the compound and phosphorylation of downstream targets is assessed by Western blotting or ELISA. Cell viability is assessed using MTT or similar colorimetric assays. The compound's effects on cell proliferation and survival are evaluated. All experiments are performed with appropriate controls.
|
| Animal Protocol |
In vivo animal experiments for 3BrB-PP1 would be conducted to evaluate its effects on kinase signaling in disease models. Animals would be administered the compound and kinase activity assessed in target tissues. Parameters assessed would include phosphorylation of downstream targets, disease progression, and tissue histopathology. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines.
|
| ADME/Pharmacokinetics |
The pharmacokinetic properties of 3BrB-PP1 reflect its nature as a small molecule kinase inhibitor. It has a molecular weight consistent with its structure. As a small molecule, it can cross biological membranes. Complete pharmacokinetic profiling including half-life, clearance, volume of distribution, and bioavailability would require further systematic studies using appropriate analytical methods such as high-performance liquid chromatography-mass spectrometry.
|
| Toxicity/Toxicokinetics |
The toxicity profile of 3BrB-PP1 has been evaluated in the context of its use as a research chemical. As a kinase inhibitor, it may have biological effects that should be carefully evaluated. Proper handling procedures including use of personal protective equipment are recommended when working with the compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
|
| References |
|
| Additional Infomation |
3-BrB-PP1 belongs to the pyrazolopyrimidine class of compounds, with the structure pyrazolo[3,4-d]pyrimidine-4-amine, containing tert-butyl and 3-bromobenzyl substituents at positions 1 and 3, respectively. It is an ATP-competitive inhibitor of CDPK1 and AKT kinases. It exhibits antiparasitic activity and inhibition of EC 2.7.11.1 (nonspecific serine/threonine protein kinase) and EC 2.7.10.2 (nonspecific protein tyrosine kinase). It is a pyrazolopyrimidine compound, belonging to the bromobenzene class, and is also an aromatic amine.
3BrB-PP1 (CAS# 956025-99-3) is a small molecule inhibitor used in research applications. It is a derivative of PP1, a known kinase inhibitor, with a bromine substitution. The compound is designed to target specific kinases and is used to study kinase signaling pathways. It is intended for research use only. |
| Molecular Formula |
C16H18BRN5
|
|---|---|
| Molecular Weight |
360.25
|
| Exact Mass |
359.075
|
| CAS # |
956025-99-3
|
| PubChem CID |
24865027
|
| Appearance |
White to off-white solid powder
|
| LogP |
4.098
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
22
|
| Complexity |
385
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)(C)N1C2=NC=NC(=C2C(=N1)CC3=CC(=CC=C3)Br)N
|
| InChi Key |
FTICVONBLRGQJW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H18BrN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
|
| Chemical Name |
3-[(3-bromophenyl)methyl]-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
|
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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: 100 mg/mL (277.59 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.94 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 (6.94 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 (6.94 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 | 2.7759 mL | 13.8793 mL | 27.7585 mL | |
| 5 mM | 0.5552 mL | 2.7759 mL | 5.5517 mL | |
| 10 mM | 0.2776 mL | 1.3879 mL | 2.7759 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
