| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| 50mg | |||
| Other Sizes |
| Targets |
Epac1 (Exchange Protein Directly Activated by cAMP 1). CE3F4 analog 1 is an analog of CE3F4, a selective Epac1 antagonist that binds to the cyclic nucleotide-binding domain of Epac1, disrupting cAMP‑induced activation and downstream Rap1 signaling.
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|---|---|
| ln Vitro |
CE3F4 analog 1 is expected to share the Epac1‑inhibitory activity of CE3F4, but its specific potency has not been reported. CE3F4 (IC50 ~2.6 uM for Epac1) selectively inhibits Epac1 over Epac2. CE3F4 analog 1 would be used to block Epac1‑dependent processes such as cell adhesion, migration, and proliferation in cancer and cardiovascular cells.
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| ln Vivo |
No in vivo data specific to CE3F4 analog 1 is available. Based on CE3F4, the analog would likely be administered intraperitoneally (5-20 mg/kg) in mouse models of cardiac hypertrophy, lung fibrosis, or cancer metastasis. Endpoints would include organ weight/body weight ratio, fibrosis markers, and tumor volume. The in vivo stability and efficacy of the analog may differ from CE3F4.
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| Enzyme Assay |
CE3F4 analog 1 is dissolved in DMSO. The binding affinity to Epac1 can be assessed using a TR‑FRET (time‑resolved fluorescence resonance energy transfer) competition assay. Purified recombinant Epac1 (50 nM) is mixed with 2 nM fluorescent cAMP analogue (e.g., 8‑NBD‑cAMP) and varying concentrations of CE3F4 analog 1 (0.1 nM-100 microM). After 30 min incubation at room temperature, TR‑FRET signal is measured using a plate reader. IC50 values are calculated from the displacement curves.
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| Cell Assay |
Cells expressing Epac1 (e.g., HEK293‑Epac1 stable line or primary smooth muscle cells) are seeded in 96‑well plates and treated with CE3F4 analog 1 (0.1‑30 microM) for 30‑60 minutes before cAMP stimulation (e.g., 10 uM forskolin or 100 uM 8‑CPT‑cAMP). Rap1 activation is measured using a Rap1 pull‑down assay (RalGDS‑RBD binding). Cell morphology and adhesion are evaluated by crystal violet staining or transwell migration assays. Cytotoxicity is assessed by MTT.
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| Animal Protocol |
Animal studies are typically performed in mice (6‑8 weeks old). CE3F4 analog 1 can be prepared in saline with up to 10% DMSO and 10% Tween 80. In a cardiac hypertrophy model, mice are subjected to transverse aortic constriction (TAC) and treated with the analog (10 mg/kg, i.p., once daily) for 4 weeks. Echocardiography is performed weekly. Heart weight and lung weight are measured at sacrifice. Fibrosis is assessed by Masson's trichrome staining and hydroxyproline content.
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| ADME/Pharmacokinetics |
No pharmacokinetic data is available for CE3F4 analog 1. CE3F4 itself has moderate oral bioavailability (~40% in mice) and a short half-life (~2 hours). The analog's multiple bromine atoms suggest it may have enhanced lipophilicity and slower metabolism, but this remains speculative. Investigators should conduct their own PK studies to guide dosing.
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| Toxicity/Toxicokinetics |
No toxicological data is reported for CE3F4 analog 1. As a halogenated quinoline derivative, potential toxicity may include hepatotoxicity or off‑target kinase inhibition, but these are theoretical. Standard acute and subchronic toxicity studies have not been published. This compound is intended for research use only, not for human therapy.
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| References |
[1]. Sonawane YA, et, al. Structure-Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors. ACS Med Chem Lett. 2017 Oct 2;8(11):1183-1187.
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| Additional Infomation |
CE3F4 analog 1 (IUPAC: 5,7,8-tribromo-6-fluoro-2-methyl-3,4-dihydroquinoline-1(2H)-carbaldehyde) is a research tool for investigating Epac1 signaling. It is a structural analog of CE3F4, a selective Epac1 antagonist, with the potential for improved potency or selectivity. It is not approved for clinical use. Molecular formula: C11H9Br3FNO; molecular weight: 429.91.
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| Molecular Formula |
C11H9BR3FNO
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|---|---|
| Molecular Weight |
429.91
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| Exact Mass |
428.819
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| CAS # |
2141967-43-1
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| PubChem CID |
145951693
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| Appearance |
White to off-white solid powder
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| LogP |
4.3
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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 |
17
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| Complexity |
306
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1CCC2=C(N1C=O)C(=C(C(=C2Br)F)Br)Br
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| InChi Key |
SVSYDDSARYTIKE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H9Br3FNO/c1-5-2-3-6-7(12)10(15)8(13)9(14)11(6)16(5)4-17/h4-5H,2-3H2,1H3
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| Chemical Name |
5,7,8-tribromo-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) |
DMSO: 100 mg/mL (232.61 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.82 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 25.0 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: ≥ 2.5 mg/mL (5.82 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 | 2.3261 mL | 11.6303 mL | 23.2607 mL | |
| 5 mM | 0.4652 mL | 2.3261 mL | 4.6521 mL | |
| 10 mM | 0.2326 mL | 1.1630 mL | 2.3261 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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