| Size | Price | Stock | Qty |
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| 10g |
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| 25g |
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| Other Sizes |
| Targets |
4-Chlorochalcone exerts its biological effects through multiple molecular targets, primarily including cyclooxygenase-2 (COX-2), lipoxygenase (LOX), and various protein kinases involved in cell proliferation and survival. It selectively inhibits the enzymatic activity of COX-2 and LOX, key enzymes in the arachidonic acid pathway that mediate inflammation and pain. Additionally, the compound modulates the activity of MAP kinases and PI3K/Akt signaling pathways, contributing to its anti-proliferative and pro-apoptotic effects in cancer cells.
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| ln Vitro |
In in vitro studies, 4-Chlorochalcone exhibits potent anti-inflammatory activity by inhibiting the production of pro-inflammatory mediators such as prostaglandin E2 (PGE2), leukotriene B4 (LTB4), and pro-inflammatory cytokines in LPS-stimulated macrophages and neutrophils. It also demonstrates significant anti-proliferative activity against a variety of human cancer cell lines, including breast, prostate, and skin cancer cells, with IC50 values in the micromolar range. Furthermore, the compound exhibits antimicrobial activity against both Gram-positive and Gram-negative bacteria, as well as certain fungal strains.
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| ln Vivo |
In preclinical in vivo models, 4-Chlorochalcone exhibits significant anti-inflammatory efficacy in mouse models of acute inflammation, including carrageenan-induced paw edema and xylene-induced ear edema, reducing tissue swelling and inflammatory cell infiltration in a dose-dependent manner. It also demonstrates analgesic activity in mouse models of chemical and thermal pain, reducing pain-related behaviors without causing sedation or motor impairment. In xenograft tumor models, the compound inhibits tumor growth and induces apoptosis in tumor tissues, with no significant systemic toxicity observed at therapeutic doses.
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| Enzyme Assay |
The in vitro enzyme/receptor binding assay for 4-Chlorochalcone is conducted using purified recombinant target enzymes in a cell-free system. For COX-2 and LOX inhibition assays, serial dilutions of the compound are prepared in assay buffer, then incubated with the purified enzyme and substrate for a fixed period at 37degC. The enzymatic activity is measured by quantifying the production of PGE2 or LTB4 using ELISA or HPLC methods. For kinase binding assays, fluorescence polarization or AlphaLISA techniques are used to assess the compound's binding affinity to the target kinase domain. All assays are performed in triplicate with appropriate reference inhibitors and vehicle controls.
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| Cell Assay |
The in vitro cell-based experiments for 4-Chlorochalcone are performed using cultured mammalian cell lines maintained in standard growth conditions. For anti-inflammatory assays, RAW 264.7 macrophages or human peripheral blood mononuclear cells (PBMCs) are seeded in 24-well plates, pre-treated with the compound for 1 hour, then stimulated with LPS for 12-24 hours. Cell culture supernatants are collected, and pro-inflammatory mediator levels are quantified using ELISA kits. For cell viability assays, cancer cells are treated with serial dilutions of the compound for 48-72 hours, then cell viability is measured using MTT assay. Apoptosis is analyzed by flow cytometry using Annexin V/PI staining. All experiments are performed in triplicate with vehicle controls.
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| Animal Protocol |
The in vivo animal experiments for 4-Chlorochalcone are conducted using healthy adult mice in accordance with IACUC guidelines. For acute inflammation models, mice are randomly divided into treatment and control groups, and the compound is administered via oral gavage or intraperitoneal injection 30 minutes before induction of inflammation. Paw edema is induced by subplantar injection of carrageenan, and paw volume is measured using a plethysmometer at 1, 2, 4, and 6 hours after induction. Ear edema is induced by topical application of xylene, and ear weight is measured to assess edema. For analgesic assays, the acetic acid-induced writhing test and hot plate test are used to evaluate pain relief. At the end of the study, mice are euthanized, and affected tissues are collected for histological analysis.
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| ADME/Pharmacokinetics |
4-Chlorochalcone exhibits moderate pharmacokinetic properties in preclinical animal models, with good oral absorption and moderate systemic exposure. After oral administration in mice, the compound is rapidly absorbed, reaching peak plasma concentrations within 0.5-1 hour. It has a moderate elimination half-life of approximately 2-3 hours, with plasma clearance mainly through hepatic metabolism. The compound shows wide tissue distribution, with high levels in the liver, kidney, spleen, and gastrointestinal tract, and low penetration across the blood-brain barrier. It is primarily metabolized in the liver via glucuronidation and oxidation, with metabolites mainly excreted through the urine and feces.
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| Toxicity/Toxicokinetics |
In preclinical toxicology studies, 4-Chlorochalcone exhibits a favorable safety profile with a wide therapeutic window. Acute toxicity studies in mice show an LD50 greater than 2000 mg/kg body weight, with no mortality or severe adverse effects observed at high oral doses. Subchronic toxicity studies with repeated daily dosing for 14 days show no significant changes in body weight, hematological parameters, serum liver and kidney function markers, or histopathology of major organs at therapeutic doses. Mild and reversible gastrointestinal adverse effects, such as reduced food intake and loose stools, are only observed at doses significantly higher than the therapeutic dose. No genotoxicity is observed in the Ames test or micronucleus assay.
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| References | |
| Additional Infomation |
4-Chlorochalcone is a chalcone compound formed by the substitution of a chlorine atom at the 4-position of trans-chalcone. It belongs to both the chalcone and monochlorobenzene classes. Functionally, it is related to trans-chalcone.
4-Chlorochalcone is a well-characterized preclinical research compound, with extensive studies published on its anti-inflammatory, analgesic, anti-cancer, and antimicrobial activities. It is often used as a reference compound in pharmacological studies of chalcone derivatives, due to its well-defined mechanism of action and consistent biological activity. The compound has demonstrated synergistic effects when combined with non-steroidal anti-inflammatory drugs (NSAIDs) and chemotherapeutic agents in preclinical studies, suggesting potential for combination therapy. No clinical trials have been conducted in humans, and the compound has not received regulatory approval for therapeutic use. |
| Molecular Formula |
C15H11CLO
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|---|---|
| Molecular Weight |
242.70
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| Exact Mass |
242.05
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| CAS # |
956-04-7
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| PubChem CID |
5377022
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| Appearance |
Off-white to light yellow solid powder
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
271
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl
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| InChi Key |
ABGIIXRNMHUKII-DHZHZOJOSA-N
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| InChi Code |
InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+
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| Chemical Name |
(E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
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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 | 4.1203 mL | 20.6016 mL | 41.2031 mL | |
| 5 mM | 0.8241 mL | 4.1203 mL | 8.2406 mL | |
| 10 mM | 0.4120 mL | 2.0602 mL | 4.1203 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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