| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Targets |
BRD5648, the inactive enantiomer of BRD0705, does not induce changes in enzyme phosphorylation or total β-catenin protein stabilization[1].
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|---|---|
| ln Vitro |
BRD5648, the inactive enantiomer of BRD0705, does not induce changes in enzyme phosphorylation or total β-catenin protein stabilization[1].
BRD5648 did not induce changes in GSK3α/β enzyme phosphorylation (Tyr279/216) or total β-catenin protein stabilization in U937 AML cells when treated at a concentration of 10 µM for 24 hours, supporting its designation as an inactive control compound. [1] |
| Enzyme Assay |
A mobility shift microfluidic assay was used to determine the inhibitory activity of compounds against GSK3α and GSK3β. Purified kinase was incubated with the test compound in the presence of ATP (at or below the Km) and a fluorescent peptide substrate for 60 minutes at room temperature. The reaction was terminated by EDTA addition, and substrate and product were separated electrophoretically. Fluorescence intensity was measured to calculate percent conversion and derive IC50 values. BRD5648 was tested using a 12-point dose curve with 3-fold serial dilution starting from 33 µM, and was found to be relatively inactive. [1]
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| Cell Assay |
For Western blot analysis of GSK3 phosphorylation and β-catenin levels, U937 AML cells were treated with BRD5648 (10 µM) or other compounds for 24 hours. Cells were lysed, and proteins were resolved by gel electrophoresis, transferred to membranes, and probed with specific antibodies against phospho-GSK3α/β (Tyr279/216), total GSK3α/β, and β-catenin. BRD5648 treatment showed no effect on these markers. [1]
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| References | |
| Additional Infomation |
BRD5648 is the enantiomer (stereochemical inversion of the quaternary carbon center) of the GSK3α selective inhibitor BRD0705. Its inactivity indicates that the three-dimensional space for inhibitor binding within the ATP-binding domain of GSK3 kinase is limited and the stereochemical requirements are strict. [1] BRD5648 was used as a negative control compound in this study to verify the targeting activity of the active enantiomer BRD0705. [1]
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| Molecular Formula |
C20H23N3O
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|---|---|
| Molecular Weight |
321.416124582291
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| Exact Mass |
321.1841
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| Elemental Analysis |
C, 74.74; H, 7.21; N, 13.07; O, 4.98
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| CAS # |
2056261-42-6
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| Related CAS # |
BRD0705;2056261-41-5;(Rac)-BRD0705;1597440-03-3
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| PubChem CID |
136980414
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| Appearance |
Light yellow to khaki solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
24
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| Complexity |
561
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| Defined Atom Stereocenter Count |
1
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| InChi Key |
NCKLQXXBRWCYMA-HXUWFJFHSA-N
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| InChi Code |
InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m1/s1
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| Chemical Name |
(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
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| Synonyms |
BRD 5648; BRD5648; BRD-5648; (R)-BRD-0705; (R)-BRD0705; (R)-BRD 0705
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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: ~300 mg/mL (~933.4 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 7.5 mg/mL (23.33 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 75.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1112 mL | 15.5560 mL | 31.1119 mL | |
| 5 mM | 0.6222 mL | 3.1112 mL | 6.2224 mL | |
| 10 mM | 0.3111 mL | 1.5556 mL | 3.1112 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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