| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
Epac1 (exchange protein directly activated by cAMP isoform 1). (R)-CE3F4 is a selective inhibitor of Epac1 with an IC50 of 4.2 microM and is 10 times more selective for Epac1 over Epac2 (IC50 of 44 microM). Epac1 is a guanine nucleotide exchange factor (GEF) for the small GTPases Rap1 and Rap2, activated by cAMP. By blocking Epac1 activation, (R)-CE3F4 interferes with downstream pathways involved in cell adhesion, migration, insulin secretion, and inflammatory responses.
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| ln Vitro |
In vitro, (R)-CE3F4 functions as a potent and selective Epac1 inhibitor with an IC50 of 4.2 microM. The compound shows 10-fold selectivity for Epac1 over Epac2 (IC50 of 44 microM). It is used as a pharmacological probe to study Epac1-mediated signaling pathways in various cell types. The compound's activity is higher than racemic CE3F4 and (S)-CE3F4. It is used to investigate the role of Epac1 in cell adhesion, migration, insulin secretion, and inflammatory responses.
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| ln Vivo |
In vivo studies of (R)-CE3F4 are limited as the compound is primarily used as a research tool for in vitro applications. The compound is not intended for therapeutic use in animals or humans. Its in vivo effects would be expected to be related to Epac1 inhibition, potentially affecting cAMP-mediated signaling pathways. Further in vivo studies are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
In vitro Epac1 inhibition assays for (R)-CE3F4 measure the compound's ability to inhibit Epac1-mediated Rap1 activation. The assay uses purified recombinant Epac1 protein and a fluorescently labeled Rap1 substrate. Varying concentrations of (R)-CE3F4 are incubated with Epac1 and Rap1 in the presence of cAMP. Rap1 activation is measured using a pull-down assay with a Rap1-binding domain or by fluorescence polarization. IC50 values are calculated from dose-response curves using nonlinear regression analysis.
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| Cell Assay |
In vitro cell-based assays for (R)-CE3F4 use cell lines that express Epac1 and respond to cAMP stimulation. Cells are cultured in appropriate media and treated with varying concentrations of the compound for 1-6 hours. Cellular responses measured include Rap1 activation (pull-down assays), cell adhesion, migration (transwell assays), and changes in gene expression. The compound's effect on Epac1-mediated signaling pathways can be assessed by Western blotting for phosphorylated downstream targets.
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| Animal Protocol |
In vivo animal studies for (R)-CE3F4 are not typically performed as the compound is used as a research probe rather than a therapeutic agent. If performed, typical protocols would involve administration of the compound via intraperitoneal or intravenous injection at doses of 1-10 mg/kg. Tissue samples would be collected for analysis of Epac1 activity and downstream signaling. However, such studies are not extensively reported in the literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (R)-CE3F4 are characteristic of small-molecule inhibitors. With a molecular weight of 351.01 and a molecular formula of C11H10Br2FNO, the compound has a LogP of 3.6. It is soluble in DMSO. The compound is stored as a powder at -20degC for up to 3 years or at 4degC for up to 2 years. In solution, it should be stored at -80degC for up to 6 months or at -20degC for up to 1 month. The compound appears as a white to off-white solid powder.
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| Toxicity/Toxicokinetics |
(R)-CE3F4 is intended for research use only and is not for human therapeutic use. Standard safety precautions for handling chemical compounds apply. The compound is not approved for clinical use.
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| References | |
| Additional Infomation |
(R)-CE3F4 is a research-grade selective inhibitor of Epac1 with an IC50 of 4.2 microM. It is an enantiomerically pure compound with a molecular formula of C11H10Br2FNO and a molecular weight of 351.01. (R)-CE3F4 is 10 times more selective for Epac1 over Epac2 (IC50 of 44 microM) and is more potent than racemic CE3F4 and (S)-CE3F4. It is used as a pharmacological probe to study Epac1-mediated signaling pathways. Not approved for clinical use.
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| Molecular Formula |
C11H10BR2FNO
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|---|---|
| Molecular Weight |
351.009604930878
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| Exact Mass |
350.909
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| CAS # |
1593478-56-8
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| Related CAS # |
CE3F4;143703-25-7
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| PubChem CID |
73669655
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| Appearance |
White to off-white solid powder
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| LogP |
3.6
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
16
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| Complexity |
279
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| Defined Atom Stereocenter Count |
1
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| SMILES |
N1(C=O)C2=C(C(Br)=C(F)C(Br)=C2)CC[C@H]1C
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| InChi Key |
ZZLQPWXVZCPUGC-ZCFIWIBFSA-N
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| InChi Code |
InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m1/s1
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| Chemical Name |
(2R)-5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8489 mL | 14.2446 mL | 28.4892 mL | |
| 5 mM | 0.5698 mL | 2.8489 mL | 5.6978 mL | |
| 10 mM | 0.2849 mL | 1.4245 mL | 2.8489 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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