| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Specific molecular targets for (E)-5-O-Cinnamoylquinic acid are not well characterized in the literature. As a phenolic compound, it is expected to interact with oxidative stress-related pathways and may modulate the activity of enzymes such as cyclooxygenases (COX) or lipoxygenases (LOX) involved in inflammation. It may also interact with nuclear factor-kappa B (NF-κB) and other transcription factors involved in inflammatory responses. The compound's antioxidant activity is likely mediated through direct radical scavenging.
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| ln Vitro |
In vitro activity data for (E)-5-O-Cinnamoylquinic acid are limited. As a cinnamoylquinic acid derivative, it is expected to exhibit antioxidant activity through DPPH and ABTS radical scavenging assays. It may also show anti-inflammatory activity by inhibiting the production of pro-inflammatory mediators such as nitric oxide, prostaglandins, and cytokines in activated macrophages. Specific IC₅₀ values and detailed activity profiles are not extensively documented.
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| ln Vivo |
In vivo activity data for (E)-5-O-Cinnamoylquinic acid are not extensively documented. Based on its in vitro antioxidant and anti-inflammatory activities, it is anticipated to have potential in vivo efficacy in models of oxidative stress and inflammation. However, specific animal studies detailing its therapeutic effects, dosing, and pharmacokinetics are limited.
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| Enzyme Assay |
The non-cellular enzyme/receptor binding assays for (E)-5-O-Cinnamoylquinic acid would typically involve antioxidant activity evaluation using chemical assays such as DPPH, ABTS, and FRAP. The compound's ability to scavenge free radicals is measured spectrophotometrically. Anti-inflammatory activity can be assessed using enzyme inhibition assays for COX-1, COX-2, and LOX enzymes. The compound is incubated with the enzyme and substrate, and the inhibition of product formation is measured. IC₅₀ values are calculated.
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| Cell Assay |
In vitro cellular assays for (E)-5-O-Cinnamoylquinic acid typically use macrophage cell lines such as RAW 264.7 to evaluate anti-inflammatory activity. Cells are treated with various concentrations of the compound, followed by stimulation with lipopolysaccharide (LPS) to induce inflammation. Nitric oxide production is measured using the Griess assay. Pro-inflammatory cytokine levels (TNF-α, IL-1β, IL-6) are quantified by ELISA. Cell viability is assessed using MTT assays to ensure observed effects are not due to cytotoxicity.
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| Animal Protocol |
In vivo animal studies for (E)-5-O-Cinnamoylquinic acid are not extensively documented. Based on its potential anti-inflammatory activity, typical study designs would involve rodent models of inflammation such as carrageenan-induced paw edema or LPS-induced systemic inflammation. The compound would be administered orally or intraperitoneally. Inflammatory markers in blood and tissues, as well as histopathological changes, would be evaluated.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (E)-5-O-Cinnamoylquinic acid are not characterized in the literature. As a polar phenolic compound with multiple hydroxyl groups, it is expected to have limited oral bioavailability due to poor membrane permeability and extensive first-pass metabolism. Metabolic pathways likely involve phase II conjugation (glucuronidation and sulfation) and possibly phase I hydrolysis of the ester bond. Specific PK parameters are not documented.
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| Toxicity/Toxicokinetics |
Toxicological data for (E)-5-O-Cinnamoylquinic acid are limited. As a naturally occurring phenolic compound, it is generally considered to have low toxicity. However, comprehensive toxicology studies are not available. The compound may cause skin and eye irritation upon contact. Standard laboratory safety precautions should be observed when handling this compound.
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| References | |
| Additional Infomation |
(E)-5-O-Cinnamoylquinic acid is a research-grade natural product intended for laboratory use only. It is not approved for clinical use as a therapeutic agent. Its primary applications include natural product chemistry research, phytochemical analysis, and studies on the antioxidant and anti-inflammatory activities of plant-derived compounds. It serves as a reference standard for the identification and quantification of cinnamoylquinic acid derivatives in plant extracts.
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| Molecular Formula |
C16H18O7
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|---|---|
| Molecular Weight |
322.309925556183
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| Exact Mass |
322.105
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| CAS # |
6470-68-4
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| Related CAS # |
5-O-Cinnamoylquinic acid;5515-82-2
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| PubChem CID |
24094125
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| Appearance |
White to off-white solid powder
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| Density |
1.45±0.1 g/cm3 at 760 mmHg
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| Boiling Point |
566.5±50.0 °C at 760 mmHg
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| Source |
Originated from animals: human gastric juice
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| LogP |
0.3
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
23
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| Complexity |
469
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC=CC=C2)O)O
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| InChi Key |
WTMHIVNZOSRKJU-VIUXVBALSA-N
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| InChi Code |
InChI=1S/C16H18O7/c17-11-8-16(22,15(20)21)9-12(14(11)19)23-13(18)7-6-10-4-2-1-3-5-10/h1-7,11-12,14,17,19,22H,8-9H2,(H,20,21)/b7-6+/t11-,12-,14+,16-/m1/s1
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| Chemical Name |
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-phenylprop-2-enoyl]oxycyclohexane-1-carboxylic 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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: ≥ 50 mg/mL (~155.1 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.88 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 (12.5 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: ≥ 1.25 mg/mL (3.88 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 (12.5 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: ≥ 1.25 mg/mL (3.88 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 (12.5 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 | 3.1026 mL | 15.5130 mL | 31.0260 mL | |
| 5 mM | 0.6205 mL | 3.1026 mL | 6.2052 mL | |
| 10 mM | 0.3103 mL | 1.5513 mL | 3.1026 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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