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| 25mg |
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| Targets |
BCI targets the dual-specificity phosphatases DUSP6 (also known as MKP-3) and DUSP1 (MKP-1). These phosphatases are negative regulators of the ERK1/2 MAPK signaling pathway. By inhibiting them, BCI prevents the dephosphorylation and inactivation of ERK1/2, leading to sustained ERK signaling. It does not inhibit DUSP5.
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| ln Vitro |
BCI (0-1 nM; 24 h) decreases DUSP6 expression in lipopolysaccharide (LPS)-activated macrophages; BCI (0-4 nM; 24 h) reduces ROS generation and activates Nrf2 immunity in LPS-activated macrophages [2]. BCI (100 ng/mL; 24 h) inhibits the expression of DUSP6 in RAW264.7 macrophages [2].
In vitro, BCI inhibits DUSP6 and DUSP1 in cells with EC50 values of 13.3 µM and 8.0 µM, respectively. It is an allosteric inhibitor. It shows anti-inflammatory activity and decreases ROS production. These activities make it a valuable tool for studying the role of DUSPs in various cellular processes. |
| ln Vivo |
In vivo, BCI is a research compound with anti-inflammatory activity. Its ability to modulate ERK signaling suggests it could be effective in models of inflammation and cancer. However, specific in vivo efficacy data are not detailed in the search results. It is a tool for studying MAPK pathway regulation.
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| Enzyme Assay |
The in vitro enzyme assay for BCI measures its ability to inhibit DUSP6 and DUSP1 phosphatase activity. The assay is performed using purified enzymes and a suitable phosphorylated substrate, such as para-nitrophenyl phosphate (pNPP) or a phosphopeptide. The inhibition of substrate dephosphorylation is measured, and the EC50 is calculated.
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| Cell Assay |
Western Blot Analysis[2]
Cell Types: IL-1β and IL-6[2]. RAW264.7 macrophage Tested Concentrations: 100 ng/mL Incubation Duration: 24 hrs (hours) Experimental Results: demonstrated downregulation of DUSP6 protein. RT-PCR[2] Cell Types: RAW264.7 Macrophage Tested Concentrations: 0-1 nM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibits the expression of IL-1β and IL-6 mRNA in LPS-activated macrophages. In vitro cellular studies are conducted using various cell lines. Cells are treated with BCI, and the phosphorylation status of ERK1/2 is measured by Western blot to confirm the inhibition of DUSP activity. The effects on cell proliferation, migration, and the production of inflammatory cytokines and ROS are also assessed. |
| Animal Protocol |
In vivo animal experiments for BCI are performed in models of inflammation. Animals are administered BCI, and inflammatory markers are measured. The compound's effect on ROS production and the MAPK pathway in target tissues is evaluated. However, specific protocols are not detailed in the search results.
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| ADME/Pharmacokinetics |
BCI has a molecular formula of C22H23NO and a molecular weight of 317.43 g/mol. It is soluble in DMSO. For research, it is typically stored at -20°C in a dry, dark place. Its purity is high (≥99%). It is a research-grade compound and is not for human use.
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| Toxicity/Toxicokinetics |
As a research chemical, BCI is not intended for human use. Its toxicological profile is not fully characterized. Standard laboratory safety precautions should be followed. Its effects on the MAPK pathway are well-known from its mechanism of action.
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| References |
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| Additional Infomation |
(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one is a 2-benzylidene-3-(cyclohexylamino)indan-1-one with an E-configuration of double bonds. It is an inhibitor of bispecific phosphatase 6 (Dusp6). It is both an inhibitor of EC 3.1.3.16 (phosphoprotein phosphatase) and an inducer of apoptosis.
BCI is also known as (E)-BCI and is an allosteric inhibitor of DUSP6 and DUSP1. It is a valuable tool for studying the MAPK/ERK signaling pathway and the role of DUSPs in inflammation, cancer, and regenerative biology. It is supplied as a high-purity research compound. |
| Molecular Formula |
C22H23NO
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|---|---|
| Molecular Weight |
317.424125909805
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| Exact Mass |
317.177
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| Elemental Analysis |
C, 83.24; H, 7.30; N, 4.41; O, 5.04
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| CAS # |
1245792-51-1
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| Related CAS # |
BCI hydrochloride;95130-23-7;(E/Z)-BCI;15982-84-0
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| PubChem CID |
6419844
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
484.6±45.0 °C at 760 mmHg
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| Flash Point |
161.3±28.9 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.625
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| LogP |
5.65
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
470
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2=CC=CC=C2C(/C/1=C\C1C=CC=CC=1)N([H])C1CCCCC1
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| InChi Key |
XJDKPLZUXCIMIS-HMMYKYKNSA-N
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| InChi Code |
InChI=1S/C22H23NO/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2/b20-15+
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| Chemical Name |
(2E)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
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| Synonyms |
BCI; (E)-BCI, BCI inhibitor;
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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 : ~125 mg/mL (~393.79 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (6.55 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 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 (6.55 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 | 3.1504 mL | 15.7520 mL | 31.5040 mL | |
| 5 mM | 0.6301 mL | 3.1504 mL | 6.3008 mL | |
| 10 mM | 0.3150 mL | 1.5752 mL | 3.1504 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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