| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
Multiple potential targets: chalcones modulate several signaling pathways including NF-kappaB inhibition, induction of mitochondrial apoptosis (caspase activation, Bcl-2/Bax modulation), inhibition of tubulin polymerization, blocking PI3K/Akt/mTOR pathway, and inhibition of various kinases. Specific targets of this compound may include NF-kappaB, STAT3, and other inflammatory transcription factors.
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| ln Vitro |
No specific in vitro data available. Chalcones in general exhibit potent anti-proliferative activity against various cancer cell lines (IC50 0.1-10 uM). Induce G2/M arrest, promote mitochondrial apoptosis (caspase-3/-9 activation, PARP cleavage, deltaΨm loss), inhibit angiogenesis. Reduce pro-inflammatory cytokines (TNF-alpha, IL-6, IL-1beta) and NO in macrophages by suppressing NF-kappaB. Trifluoromethyl group often enhances metabolic stability and potency.
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| ln Vivo |
No specific in vivo data available. Chalcone derivatives have shown anti-tumor activity in xenograft models (reduced tumor volume/weight without significant toxicity) and anti-inflammatory efficacy in carrageenan-induced paw edema and colitis models. 2-Trifluoromethyl-2'-methoxychalcone is expected to have similar activities, but specific studies not reported.
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| Enzyme Assay |
No specific protocols for this compound. For general chalcone kinase inhibition: (1) Use kinase inhibition assay kit with purified recombinant kinases (PI3K, AKT, mTOR, CDK, tubulin polymerization assay). (2) Incubate kinase with ATP, substrate, and compound (0.1-100 uM). (3) Measure phosphorylation by HTRF or Kinase-Glo.
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| Cell Assay |
(1) Seed cancer cells (MCF-7, A549, HeLa, HCT116) at 5,000-10,000/well in 96-well plates. (2) Treat with 2-trifluoromethyl-2'-methoxychalcone (0.1-100 uM) for 48-72 h. (3) Add MTT/CCK-8, calculate IC50. (4) For apoptosis: treat 48 h, stain Annexin V-FITC/PI, flow cytometry. (5) For cell cycle: treat 24-48 h, fix in 70% ethanol, stain with PI (50 ug/mL)+RNase A (100 ug/mL), FACS. (6) For NF-kappaB: treat macrophages (RAW 264.7) with compound (1-50 uM) for 1 h, then LPS (1 ug/mL) for 6 h, measure TNF-alpha/IL-6 by ELISA and p65 nuclear translocation by immunofluorescence.
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| Animal Protocol |
(1) For in vivo efficacy: use BALB/c nude mice (20-25 g) bearing xenografts (MCF-7, A549, 100-150 mm3). (2) Administer compound IP (10-50 mg/kg) or PO (25-100 mg/kg) daily for 14-21 days. (3) Formulation: IP in 10% DMSO/40% PEG300/5% Tween-80/45% saline; PO in 0.5% CMC-Na+0.1% Tween-80. (4) Monitor tumor volume twice weekly. (5) At endpoint, excise tumors, weigh, histology (H&E, IHC for Ki-67, cleaved caspase-3, CD31), TUNEL, Western blot for apoptosis markers. (6) For anti-inflammatory models: carrageenan-induced paw edema or DSS colitis, administer compound (10-50 mg/kg PO) daily, measure paw swelling or disease activity index, tissue cytokines.
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| ADME/Pharmacokinetics |
Soluble in DMSO (≥20 mg/mL), moderately in ethanol. For cell culture, prepare 10-50 mM stock in DMSO, dilute into medium (final DMSO ≤0.1%). For IP, prepare 5-10 mg/mL in 10% DMSO/40% PEG300/5% Tween-80/45% saline. For PO, suspend in 0.5% CMC-Na+0.1% Tween-80. Storage: powder at -20degC for 3 years, protect from light. PK predicted: moderate oral bioavailability (30-60%), t1/2 2-4 h, LogP ~3.5-4.5 due to trifluoromethyl group.
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| Toxicity/Toxicokinetics |
In vitro: chalcone derivatives typically have IC50 10-50 uM in normal cells, with selectivity for cancer cells. In vivo: MTD in mice for chalcones typically 100-300 mg/kg (IP, single dose). High doses cause weight loss, mild hepatotoxicity (elevated ALT/AST), GI distress. For research use only.
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| References | |
| Additional Infomation |
2-Trifluoromethyl-2'-methoxychalcone is a synthetic chalcone derivative. Chalcones are open-chain flavonoids, precursors for other flavonoids in plants, with diverse pharmacological activities: anticancer, anti-inflammatory, antimicrobial, antioxidant, antidiabetic. Trifluoromethyl group enhances metabolic stability, lipophilicity, and bioavailability. Not FDA-approved; strictly for research in medicinal chemistry, drug discovery, and pharmacological studies.
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| Molecular Formula |
C17H13F3O2
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|---|---|
| Molecular Weight |
306.28
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| Exact Mass |
306.086
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| CAS # |
1309371-03-6
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| PubChem CID |
53262706
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
395.6±42.0 °C at 760 mmHg
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| Flash Point |
186.4±22.8 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.550
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| LogP |
4.71
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
403
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=CC=C1C(=O)/C=C/C2=CC=CC=C2C(F)(F)F
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| InChi Key |
BDZOPPCXQXPRKH-ZHACJKMWSA-N
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| InChi Code |
InChI=1S/C17H13F3O2/c1-22-16-9-5-3-7-13(16)15(21)11-10-12-6-2-4-8-14(12)17(18,19)20/h2-11H,1H3/b11-10+
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| Chemical Name |
(E)-1-(2-methoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-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 | 3.2650 mL | 16.3249 mL | 32.6499 mL | |
| 5 mM | 0.6530 mL | 3.2650 mL | 6.5300 mL | |
| 10 mM | 0.3265 mL | 1.6325 mL | 3.2650 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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