| 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 |
White to off-white solid
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| Boiling Point |
112-114 °C
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| Source |
Originated from plants: Caprifoliaceae Lonicera japonica Thunb.
|
| LogP |
-0.1
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
6
|
| Heavy Atom Count |
26
|
| Complexity |
548
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
COC(=O)C1(O)CC(O)C(O)C(C1)OC(=O)\C=C/c1ccc(O)c(O)c1
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| InChi Key |
MZNIJRAPCCELQX-NYCIAPANSA-N
|
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
DMSO: ~100 mg/mL (~271.5 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.79 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.79 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (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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