| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| Other Sizes |
| Targets |
The primary targets of neochlorogenic acid methyl ester are likely related to its antioxidant properties. Caffeoylquinic acid derivatives are known to scavenge free radicals and chelate metal ions. They may also inhibit enzymes such as tyrosinase, α-glucosidase, and lipoxygenase. The methyl ester group may affect the compound's interaction with biological targets compared to the parent acid. Specific molecular targets require further elucidation through biochemical studies.
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|---|---|
| ln Vitro |
In vitro studies of caffeoylquinic acid derivatives, including neochlorogenic acid methyl ester, have demonstrated antioxidant activity. These compounds scavenge DPPH, ABTS, and other free radicals. They may also exhibit anti-inflammatory, antimicrobial, and enzyme inhibitory activities. Neochlorogenic acid methyl ester has been studied as a bioactive natural product with potential health benefits. Specific potency data for this methyl ester are available in the phytochemical literature.
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| ln Vivo |
In vivo activity of neochlorogenic acid methyl ester has not been extensively documented. Caffeoylquinic acid derivatives are known to have various health benefits, including antioxidant, anti-inflammatory, and hepatoprotective effects in animal models. The methyl ester may have improved bioavailability compared to the parent acid. Specific in vivo data for neochlorogenic acid methyl ester are limited. Further studies are needed to confirm its biological activities in vivo.
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| Enzyme Assay |
For antioxidant assays, DPPH radical scavenging, ABTS, and FRAP assays are standard methods. The compound is mixed with the radical-generating system, and the reduction in absorbance is measured at specific wavelengths. IC₅₀ values for radical scavenging are calculated from dose-response curves. For enzyme inhibition assays, the compound is incubated with the enzyme and substrate, and product formation is monitored spectrophotometrically. For metal chelation assays, ferrozine or other colorimetric methods are used.
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| Cell Assay |
For in vitro cell-based studies, various cell lines such as hepatocytes, macrophages, or cancer cells may be used. Cells are cultured in appropriate media and treated with serial dilutions of neochlorogenic acid methyl ester. Cell viability is assessed using MTT or other assays. Markers of oxidative stress such as ROS levels, glutathione content, and lipid peroxidation may be measured. Anti-inflammatory activity may be evaluated by measuring cytokine production in stimulated cells.
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| Animal Protocol |
In vivo animal studies for neochlorogenic acid methyl ester have not been extensively reported. For similar caffeoylquinic acid derivatives, mouse or rat models of oxidative stress, inflammation, or metabolic disease may be used. The compound is administered via oral, intraperitoneal, or intravenous routes. Efficacy endpoints include biochemical markers of oxidative stress, inflammatory cytokines, and histological analysis of target tissues. Standard protocols can be adapted.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of neochlorogenic acid methyl ester have not been comprehensively characterized. As a methyl ester, it may have improved lipophilicity and oral bioavailability compared to the parent acid. The ester may be hydrolyzed by esterases to the active acid form. Specific PK parameters such as half-life, clearance, and protein binding have not been reported. Further pharmacokinetic studies are needed to understand its ADME properties.
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| Toxicity/Toxicokinetics |
Toxicological data for neochlorogenic acid methyl ester are limited. As a naturally occurring phenolic compound, it is expected to have low toxicity. Caffeoylquinic acid derivatives are generally considered safe and are present in many foods. However, systematic toxicological studies including acute and repeated-dose toxicity have not been published. Standard safety assessments would be needed for therapeutic applications.
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| References | |
| Additional Infomation |
According to reports, methyl chlorogenic acid has been found in sasanqua, cornflower, and other organisms with available data.
Neochlorogenic acid methyl ester is a research compound used in studies of phenolic compounds and their biological activities. It is a derivative of neochlorogenic acid, a natural product found in various plants. The compound may be used as a reference standard for analytical method development or as a tool for studying antioxidant and anti-inflammatory mechanisms. No clinical trials or therapeutic applications have been reported. |
| Molecular Formula |
C17H20O9
|
|---|---|
| Molecular Weight |
368.335
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| Exact Mass |
368.11
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| CAS # |
123410-65-1
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| Related CAS # |
3-O-Caffeoylquinic acid methyl ester;123483-19-2
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| PubChem CID |
46230348
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| Appearance |
Typically exists as solid at room temperature
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| Boiling Point |
112-114 °C
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| LogP |
-0.1
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| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
6
|
| Heavy Atom Count |
26
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| Complexity |
548
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| Defined Atom Stereocenter Count |
4
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| SMILES |
COC(=O)C1(O)CC(O)C(O)C(C1)OC(=O)\C=C/c1ccc(O)c(O)c1
|
| InChi Key |
MZNIJRAPCCELQX-NYCIAPANSA-N
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| InChi Code |
InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15+,17-/m1/s1
|
| Chemical Name |
methyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
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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 | 2.7149 mL | 13.5744 mL | 27.1488 mL | |
| 5 mM | 0.5430 mL | 2.7149 mL | 5.4298 mL | |
| 10 mM | 0.2715 mL | 1.3574 mL | 2.7149 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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