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| 1mg |
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GATA4-NKX2-5-IN-1 (Compound 3) dose-dependently inhibits the GATA4–NKX2-5 transcriptional synergy with an IC50 of 3 μM. GATA4-NKX2-5-IN-1 exhibits no activity on the protein kinases involved in the regulation of GATA4 phosphorylation, and it modulates the hypertrophic agonist-induced cardiac gene expression.
| Targets |
- GATA4-NKX2-5-IN-1 targets the GATA4-NKX2-5 protein-protein interaction [1]
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| ln Vitro |
- GATA4-NKX2-5-IN-1 inhibits the synergistic transcriptional activity of GATA4 and NKX2-5 by disrupting their protein-protein interaction. This effect was assessed via luciferase reporter assays in HEK293 cells, which were transfected with GATA4 and NKX2-5 expression vectors plus a GATA4/NKX2-5-responsive luciferase reporter construct. The compound showed dose-dependent inhibition of reporter gene activity, confirming disruption of the GATA4-NKX2-5 transcription factor complex [1]
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| Enzyme Assay |
- For evaluating the effect of GATA4-NKX2-5-IN-1 on GATA4-NKX2-5 interaction, a luciferase reporter assay was performed. HEK293 cells were co-transfected with GATA4 and NKX2-5 expression plasmids, as well as a luciferase reporter plasmid containing GATA4/NKX2-5 binding sites. Cells were treated with different concentrations of GATA4-NKX2-5-IN-1 for 24 hours. After treatment, luciferase activity was measured using a luminometer, and results were normalized to protein concentration. The assay confirmed the compound’s concentration-dependent inhibition of luciferase activity, indicating its ability to disrupt GATA4-NKX2-5 interaction [1]
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| Cell Assay |
- A cell-based luciferase reporter assay was used to assess GATA4-NKX2-5-IN-1 ’s impact on GATA4-NKX2-5 transcriptional activity. HEK293 cells were co-transfected with GATA4 and NKX2-5 expression vectors, along with a GATA4/NKX2-5-responsive luciferase reporter construct. Following transfection, cells were treated with varying concentrations of GATA4-NKX2-5-IN-1 for 24 hours. Luciferase activity was then measured and normalized to protein concentration, revealing the compound’s dose-dependent inhibition of GATA4-NKX2-5-mediated transcriptional activity [1]
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| References |
: Välimäki MJ, et al. Discovery of Small Molecules Targeting the Synergy of Cardiac Transcription Factors GATA4 and NKX2-5. J Med Chem. 2017 Sep 28;60(18):7781-7798.
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| Additional Infomation |
GATA4 and NKX2-5 are key transcription factors in cardiac development and function; their synergistic action regulates gene expression involved in cardiomyocyte differentiation and cardiac development. The development of GATA4-NKX2-5-IN-1 aims to target the GATA4-NKX2-5 protein-protein interaction, which may provide a therapeutic strategy for diseases associated with abnormal GATA4-NKX2-5 signaling, such as congenital heart defects [1].
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| Molecular Formula |
C21H23N3O2
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|---|---|
| Molecular Weight |
349.426
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| Exact Mass |
349.179
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| CAS # |
544681-96-1
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| PubChem CID |
753168
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| Appearance |
Off-white to pale purple solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
26
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| Complexity |
441
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
UDDOZWWBHVIGDS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H23N3O2/c1-4-24(5-2)18-13-11-17(12-14-18)22-21(25)19-15(3)26-23-20(19)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,25)
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| Chemical Name |
N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
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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 : ~83.33 mg/mL (~238.47 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (5.95 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.95 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 | 2.8618 mL | 14.3090 mL | 28.6180 mL | |
| 5 mM | 0.5724 mL | 2.8618 mL | 5.7236 mL | |
| 10 mM | 0.2862 mL | 1.4309 mL | 2.8618 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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