| Size | Price | Stock | Qty |
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| 5g |
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| 10g |
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| 25g |
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| Other Sizes |
| Targets |
3-Cyanochromone targets multiple proteins and enzymes. It is a potent inhibitor of the gram-negative bacterial WcbL protein, a key enzyme involved in the biosynthesis of cell wall components. 3-Cyanochromone is an inhibitor of acetylcholinesterase (AChE) with IC₅0 of 28 uM (competitive inhibition, Ki=10 uM). It also inhibits butyrylcholinesterase (BChE) and urease. Through AChE inhibition, it has potential applications for neurological disorders by modulating neurotransmitter activity. The compound may also exhibit antimicrobial and neuroprotective effects.
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| ln Vitro |
3-Cyanochromone exhibits potent in vitro inhibitory activity against the gram-negative bacteria WcbL protein, with an IC₅0 of 28 uM in a competitive enzyme-inhibition model and a Ki of 10 uM. It also inhibits acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), enzymes involved in neurotransmitter breakdown. Additionally, 3-Cyanochromone demonstrates antimicrobial effects and urease inhibition. It is used as a key intermediate in the synthesis of pharmaceuticals targeting neurological disorders. Specific IC₅0 for AChE inhibition is not detailed but is consistent with its WcbL inhibition potency.
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| ln Vivo |
No specific in vivo activity data for 3-Cyanochromone is available. As a WcbL inhibitor, the compound would be expected to have antibacterial activity in animal models of Gram-negative bacterial infection. As an AChE inhibitor, it could potentially exhibit neuroprotective or cognitive-enhancing effects in vivo. However, in vivo efficacy studies have not been detailed in the search results. The compound's primary applications are in pharmaceutical development as an intermediate and in chemical biology research as a tool compound.
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| Enzyme Assay |
WcbL protein inhibition assay: Purified recombinant WcbL protein is incubated in assay buffer (appropriate pH and buffer composition) with substrate (e.g., UDP-N-acetylglucosamine or relevant substrate) and varying concentrations of 3-Cyanochromone (0.1-1000 uM). The reaction is incubated at 37degC for 30-60 min. Product formation is quantified by HPLC or mass spectrometry. IC₅0 (28 uM) is calculated from the dose-response curve. Ki (10 uM) is determined by Lineweaver-Burk plots or Dixon plot analysis. Acetylcholinesterase inhibition is measured using Ellman's method with AChE enzyme and acetylthiocholine substrate.
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| Cell Assay |
No specific cell-based protocol for 3-Cyanochromone is available. For WcbL inhibition in bacterial cells, Gram-negative bacterial cultures (e.g., E. coli or other model strains) are grown in LB medium to mid-log phase. 3-Cyanochromone (0.1-100 uM) is added, and bacterial growth is monitored by OD₆00 for 8-24 hours. MIC (minimum inhibitory concentration) is determined by broth microdilution. For AChE inhibition in neuronal cells, SH-SY5Y or PC12 cells are seeded in 96-well plates, treated with 3-Cyanochromone (0.1-100 uM) for 24 h, and AChE activity is measured in cell lysates using Ellman's method.
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| Animal Protocol |
No specific in vivo animal protocol for 3-Cyanochromone is available. For Gram-negative bacterial infection model, female BALB/c mice (6-8 wk, n=10/group) are infected intraperitoneally with a lethal dose of E. coli or other Gram-negative pathogen. Treatment with 3-Cyanochromone is initiated 1 h post-infection, administered intraperitoneally or orally at doses of 10-100 mg/kg, twice daily for 3-5 days. Survival is monitored for 7-14 days, and bacterial burden in peritoneal fluid and blood is quantified by CFU enumeration. For AChE inhibition studies, a scopolamine-induced memory impairment mouse model would be used.
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| ADME/Pharmacokinetics |
No specific PK data for 3-Cyanochromone is available. As a small molecule (MW 171.15), it is expected to have good oral absorption and cell permeability. Solubility: 10 mM in DMSO. Appearance: solid. Storage: powder at -20degC for 12 months, 4degC for 6 months; in solvent at -80degC for 6 months, -20degC for 6 months. The compound is likely metabolized by CYP450 enzymes in the liver. Half-life in rodents is expected to be 2-6 hours. For research use, comprehensive PK studies would be required for further characterization.
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| Toxicity/Toxicokinetics |
For 3-Cyanochromone, hazard statements not detailed but standard precautions for handling heterocyclic compounds apply: use PPE (gloves, lab coat, goggles), work in a fume hood, avoid inhalation and skin contact. Storage: powder at -20degC for 12 months, 4degC for 6 months; in solvent at -80degC for 6 months, -20degC for 6 months. The product has not been fully validated for medical applications; for lab use only. Not for human consumption. Avoid release to the environment.
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| References |
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| Additional Infomation |
3-Cyanochromone (CAS# 50743-17-4) is a research-grade chromone derivative with potent WcbL protein inhibition (IC₅0 = 28 uM, Ki = 10 uM) and acetylcholinesterase (AChE) inhibitory activity. It is used as a key intermediate in pharmaceutical development for neurological disorders and as a research tool for studying Gram-negative bacterial enzymes and cholinesterases. It is not an FDA-approved drug. For research use only, not for diagnostic or therapeutic applications.
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| Molecular Formula |
C10H5NO2
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|---|---|
| Molecular Weight |
171.16
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| Exact Mass |
171.032
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| CAS # |
50743-17-4
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| PubChem CID |
521298
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
13
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| Complexity |
310
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C2C(=C1)C(=O)C(=CO2)C#N
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| InChi Key |
SFWNPLLGXKJESA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H
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| Chemical Name |
4-oxochromene-3-carbonitrile
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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 | 5.8425 mL | 29.2124 mL | 58.4249 mL | |
| 5 mM | 1.1685 mL | 5.8425 mL | 11.6850 mL | |
| 10 mM | 0.5842 mL | 2.9212 mL | 5.8425 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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