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(Rac)-BRD0705

Cat No.:V40162 Purity: ≥98%
(Rac)-BRD0705 is a low-activity racemate of BRD0705, a potent, paraselective and orally bioactive GSK3α inhibitor (antagonist) with IC50 of 66 nM and Kd of 4.8 μM.
(Rac)-BRD0705
(Rac)-BRD0705 Chemical Structure CAS No.: 1597440-03-3
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
10mg
Other Sizes

Other Forms of (Rac)-BRD0705:

  • BRD0705
  • BRD5648
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
(Rac)-BRD0705 is a low-activity racemate of BRD0705, a potent, paraselective and orally bioactive GSK3α inhibitor (antagonist) with IC50 of 66 nM and Kd of 4.8 μM. BRD0705 is more selective (8-fold) for GSK3α than GSK3β (IC50 of 515 nM). BRD0705 is indicated for acute myeloid leukemia.
(Rac)-BRD0705 is a less active racemate of BRD0705, which is a potent, paralog selective, and orally active GSK3α inhibitor. It has the CAS number 1597440-03-3 and a molecular weight of 321.42 g/mol. This compound serves as a negative control for the active enantiomer BRD0705 in research studies.
Biological Activity I Assay Protocols (From Reference)
Targets
(Rac)-BRD0705 targets glycogen synthase kinase 3 alpha (GSK3α), a key enzyme involved in glycogen metabolism and cell signaling. BRD0705 is a potent GSK3α inhibitor with an IC50 of 66 nM and a Kd of 4.8 μM. The racemate is less active.
ln Vitro
In vitro, (Rac)-BRD0705 is a less active racemate of BRD0705. BRD0705 is a potent, paralog selective GSK3α inhibitor with an IC50 of 66 nM. The racemate serves as a negative control in GSK3α inhibition studies.
ln Vivo
In vivo, (Rac)-BRD0705 is used as a negative control for the active enantiomer BRD0705. BRD0705 is an orally active GSK3α inhibitor. The racemate is used to distinguish specific GSK3α-mediated effects from non-specific effects in animal models.
Enzyme Assay
In vitro enzyme assays for (Rac)-BRD0705 involve measuring its inhibition of GSK3α activity. Recombinant GSK3α is incubated with increasing concentrations of the compound, ATP, and a specific peptide substrate. Phosphorylation is measured using radioactive or luminescence-based assays. IC50 values are calculated. Its activity is compared to the active enantiomer BRD0705.
Cell Assay
For in vitro cell-based assays, cells are cultured and treated with (Rac)-BRD0705 at various concentrations. GSK3α inhibition is confirmed by measuring the phosphorylation of GSK3α substrates (e.g., β-catenin) via Western blot. Cell viability is assessed by standard assays. The compound's effects are compared to the active enantiomer.
Animal Protocol
In vivo animal studies with (Rac)-BRD0705 are conducted as negative controls in models where BRD0705 is tested. The compound is administered orally to rodents. Its effects on GSK3α-mediated pathways are compared to the active enantiomer to confirm target specificity.
ADME/Pharmacokinetics
(Rac)-BRD0705 (CAS: 1597440-03-3) has a molecular weight of 321.42 g/mol and a molecular formula of C20H23N3O. Appearance: solid powder. Purity: ≥98%. Storage: -20°C. The compound is a less active racemate of BRD0705.
Toxicity/Toxicokinetics
(Rac)-BRD0705 is a research compound and is not approved for human therapeutic use. In preclinical studies, it has shown a manageable safety profile. As a GSK3α inhibitor, it may have effects on glycogen metabolism and cell signaling. Standard laboratory safety precautions should be followed when handling the compound.
References

[1]. Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med. 2018 Mar 7;10(431). pii: eaam8460.

[2]. Uses of paralog-selective inhibitors of gsk3 kinases. US20160375006A1.

Additional Infomation
(Rac)-BRD0705 is a less active racemate of BRD0705, a potent and orally active GSK3α inhibitor. It has the CAS number 1597440-03-3 and a molecular weight of 321.42 g/mol. It is used as a negative control in research. It is not FDA-approved and is intended for research use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C20H23N3O
Molecular Weight
321.416124582291
Exact Mass
321.184
CAS #
1597440-03-3
Related CAS #
BRD0705;2056261-41-5;BRD5648;2056261-42-6
PubChem CID
136980454
Appearance
Light yellow to yellow solid powder
LogP
4.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Heavy Atom Count
24
Complexity
561
Defined Atom Stereocenter Count
0
SMILES
O=C1CC(C)(C)CC2=C1C(C1C=CC=CC=1)(CC)C1C=NNC=1N2
InChi Key
NCKLQXXBRWCYMA-UHFFFAOYSA-N
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)
Chemical Name
4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-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 Data
Solubility (In Vitro)
DMSO : ~250 mg/mL (~777.80 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.47 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 20.8 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: ≥ 2.08 mg/mL (6.47 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 20.8 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.

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Solubility in Formulation 3: ≥ 2.08 mg/mL (6.47 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.


 (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.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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