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| Other Sizes |
| Targets |
4-Chlorocinnamic acid targets bacterial and fungal pathogens. It has potent urease inhibitory activities, suggesting that urease, an enzyme that catalyzes the hydrolysis of urea into carbon dioxide and ammonia, could be a primary target. The compound also inhibits tyrosinase, an enzyme involved in melanin synthesis. Its antibacterial and antifungal activities make it a valuable research tool for studying microbial infections.
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| ln Vitro |
4-Chlorocinnamic acid demonstrates antibacterial activity in vitro against a range of bacteria. It also inhibits the growth of Colletotrichum gloeosporioides, a fungal pathogen. The compound exhibits potent urease inhibitory activities, suggesting its potential as an antimicrobial agent. Its tyrosinase inhibitory activity has also been demonstrated. These activities make the compound useful for research on infection and enzyme inhibition.
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| ln Vivo |
In vivo activity data for 4-chlorocinnamic acid are limited in the available literature. The compound's antibacterial and antifungal activities suggest potential for in vivo efficacy in models of infection. Its urease inhibitory activity may have implications for treating urease-related conditions. Further in vivo studies are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
In vitro enzyme assays for 4-chlorocinnamic acid include measuring its inhibition of urease activity using colorimetric or spectrophotometric methods that detect ammonia production. Tyrosinase inhibition is assessed by measuring the oxidation of substrates such as L-DOPA. These assays determine the compound's IC50 values against these enzyme targets and help elucidate its mechanism of action.
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| Cell Assay |
In vitro cellular assays for 4-chlorocinnamic acid involve culturing bacterial or fungal cells in the presence of varying concentrations of the compound. Antibacterial and antifungal activities are assessed by measuring inhibition of growth using optical density measurements or colony counting. The minimum inhibitory concentration (MIC) is determined as the lowest concentration that inhibits visible growth.
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| Animal Protocol |
In vivo animal experiments for 4-chlorocinnamic acid are not extensively documented. If used in animal models of infection, typical protocols would involve administering the compound to infected animals and evaluating efficacy by measuring bacterial or fungal load in tissues. Further studies are needed to characterize its in vivo efficacy and safety profile.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 4-chlorocinnamic acid are limited. As a small organic acid, its absorption, distribution, metabolism, and excretion properties would influence its bioavailability. The compound's photosensitivity may affect its stability in vivo. Further pharmacokinetic studies are needed to determine its systemic exposure and elimination pathways.
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| Toxicity/Toxicokinetics |
Toxicological data for 4-chlorocinnamic acid are limited. The compound is an organochlorine compound, which may have potential for toxicity at higher concentrations. Standard laboratory safety precautions should be followed when handling this compound. It is intended for research use only and is not for human therapeutic application.
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| References |
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| Additional Infomation |
4-Chlorocinnamic acid is an organochlorine compound formed by the substitution of trans-cinnamic acid with chlorine at the 4-position of the benzene ring. It is functionally related to trans-cinnamic acid.
See also: Cinnamic acid (note moved to). 4-Chlorocinnamic acid (p-chlorophenyl acrylic acid) (CAS#: 1615-02-7) is a chlorinated cinnamic acid derivative with antibacterial and antifungal activities. Its molecular formula is C9H7ClO2 with a molecular weight of 182.6. The compound inhibits tyrosinase and urease. It is a photosensitive compound used in research on infection and enzyme inhibition. |
| Molecular Formula |
C9H7CLO2
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|---|---|
| Molecular Weight |
182.60
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| Exact Mass |
182.013
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| CAS # |
1615-02-7
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| PubChem CID |
637797
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
325.3±17.0 °C at 760 mmHg
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| Melting Point |
248-250 °C(lit.)
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| Flash Point |
150.5±20.9 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.628
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| LogP |
2.94
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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 |
2
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| Heavy Atom Count |
12
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| Complexity |
181
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC=C1/C=C/C(=O)O)Cl
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| InChi Key |
GXLIFJYFGMHYDY-ZZXKWVIFSA-N
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| InChi Code |
InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
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| Chemical Name |
(E)-3-(4-chlorophenyl)prop-2-enoic acid
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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 | 5.4765 mL | 27.3823 mL | 54.7645 mL | |
| 5 mM | 1.0953 mL | 5.4765 mL | 10.9529 mL | |
| 10 mM | 0.5476 mL | 2.7382 mL | 5.4765 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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