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BRD7552

Alias: BRD-7552; BRD 7552; BRD7552.
Cat No.:V1898 Purity: ≥98%
BRD7552 is an inducer of transcription factor PDX1, which increases insulin expression.
BRD7552
BRD7552 Chemical Structure CAS No.: 1137359-47-7
Product category: Others
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

BRD7552 is an inducer of transcription factor PDX1, which increases insulin expression. In human cells, BRD7552 upregulated the expression of PDX1 via epigenetically altering PDX1 promoter area [3]. BRD7552 was discovered as a PDX1 inducer in a cell-based phenotypic screening assay. It was used to induce the expression of PDX1. In PANC-1 cells, BRD7552 up-regulated mRNA and protein levels of PDX1. BRD7552 changed epigenetic markers within the PDX1 promoter region that was consistent with transcriptional activation.

Biological Activity I Assay Protocols (From Reference)
ln Vitro
After BRD7552 treatment in PANC-1 cells, PDX1 protein levels rise in a dose-dependent manner (0–5 μM; 5 days)[1]. In human ductal cells, BRD7552 increases PDX1 expression in a way that is dependent on FOXA2. Treatment of PANC-1 cells with BRD7552 (0-10 μM) for nine days results in a dose-dependent increase in the expression of insulin mRNA. In PANC-1 cells, BRD7552 stimulates the expression of insulin. BRD7552 exhibits H3 acetylation, H3K4me3, and H3K9me3 reductions, all of which are congruent with PDX1 transcriptional activation. Inducing epigenetic modifications that align with transcriptional activity, BRD7552 functions in a manner that is dependent on FOXA2[1].
ln Vivo

Cell Assay
Western Blot Analysis[1]
Cell Types: PANC-1 cells
Tested Concentrations: 1.25, 2.5, 5 μM
Incubation Duration: 5 days
Experimental Results: Induced a dose-dependent increase in PDX1 protein levels.
Animal Protocol


References

[1]. A small-molecule inducer of PDX1 expression identified by high-throughput screening [published correction appears in Chem Biol. 2014 Feb 20;21(2):306]. Chem Biol. 2013;20(12):1513-1522.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C33H33N3O15
Molecular Weight
711.63
Exact Mass
711.191
CAS #
1137359-47-7
Related CAS #
1137359-47-7
PubChem CID
23891512
Appearance
Typically exists as solid at room temperature
Density
1.5±0.1 g/cm3
Boiling Point
757.6±60.0 °C at 760 mmHg
Flash Point
412.0±32.9 °C
Vapour Pressure
0.0±2.7 mmHg at 25°C
Index of Refraction
1.654
LogP
7.01
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
15
Rotatable Bond Count
14
Heavy Atom Count
51
Complexity
1200
Defined Atom Stereocenter Count
5
SMILES
O1[C@@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[H])OC(N([H])C1C([H])=C([H])C(C(=O)OC([H])([H])C([H])([H])[H])=C([H])C=1[H])=O)OC(N([H])C1C([H])=C([H])C2=C(C=1[H])OC([H])([H])O2)=O)OC(N([H])C1C([H])=C([H])C2=C(C=1[H])OC([H])([H])O2)=O)OC([H])([H])[H]
InChi Key
AAOLIMLEFKWKOY-IXMSMLDRSA-N
InChi Code
InChI=1S/C33H33N3O15/c1-3-43-29(38)17-4-6-18(7-5-17)34-31(39)49-26-25(14-37)48-30(42-2)28(51-33(41)36-20-9-11-22-24(13-20)47-16-45-22)27(26)50-32(40)35-19-8-10-21-23(12-19)46-15-44-21/h4-13,25-28,30,37H,3,14-16H2,1-2H3,(H,34,39)(H,35,40)(H,36,41)/t25-,26-,27+,28-,30+/m1/s1
Chemical Name
Methyl [2,3-O-bis(Benzo[1,3]dioxol-5-yl-carbamoyl)]-4-O-(4-ethoxycarbonyl-phenylcarbamoyl)-α-D-glucopyranoside
Synonyms
BRD-7552; BRD 7552; BRD7552.
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:100 mg/mL (140.5 mM)
Water:<1 mg/mL
Ethanol:100 mg/mL (140.5 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.51 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 (3.51 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 25.0 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 1.4052 mL 7.0261 mL 14.0522 mL
5 mM 0.2810 mL 1.4052 mL 2.8104 mL
10 mM 0.1405 mL 0.7026 mL 1.4052 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

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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  • The answer appears in the Volume (to add to vial) box
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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