| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Specific molecular targets of trans-Caffeoyl-6-OD-gluconic acid have not been extensively characterized. As a caffeoyl ester of gluconic acid, it may share biological activities with other caffeoyl derivatives, including antioxidant, anti-inflammatory, or antimicrobial properties. The caffeoyl moiety is known for its antioxidant activity through free radical scavenging. However, specific molecular targets have not been identified in the available literature. Further studies are needed to elucidate its mechanism of action.
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|---|---|
| ln Vitro |
In vitro activity data for trans-Caffeoyl-6-OD-gluconic acid are limited in the published literature. The compound has been primarily characterized as a natural product from Evodia rutaecarpa fruits. As a caffeoyl ester, it may exhibit antioxidant activity through free radical scavenging. It may also have anti-inflammatory or other biological activities. However, detailed in vitro activity data including IC₅₀ values have not been extensively published. Further studies are needed to characterize its biological activities.
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| ln Vivo |
In vivo activity data for trans-Caffeoyl-6-OD-gluconic acid are not available in the published literature. The compound has been primarily characterized as a natural product from Evodia rutaecarpa. No in vivo pharmacological studies have been reported for this compound. Given its presence in Evodia rutaecarpa, a plant used in traditional medicine, it may contribute to the therapeutic effects of the plant. However, dedicated in vivo studies for this compound have not been conducted or reported.
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| Enzyme Assay |
In vitro assays for trans-Caffeoyl-6-OD-gluconic acid are not extensively documented. As a caffeoyl ester, potential assays could include antioxidant activity evaluation using DPPH or ABTS radical scavenging assays, anti-inflammatory activity by measuring cytokine production in immune cells, or antimicrobial activity using broth microdilution or disc diffusion methods. The compound's structure can be confirmed by NMR and MS. Purity is ≥98%.
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| Cell Assay |
In vitro cellular assays for trans-Caffeoyl-6-OD-gluconic acid are not extensively documented. Potential cellular assays could include evaluation of antioxidant activity in cell-based oxidative stress models, anti-inflammatory activity in macrophages or other immune cells, or cytoprotective effects. Cells are treated with the compound and cell viability, reactive oxygen species levels, or cytokine production is measured. The compound is typically handled as a solid and may be soluble in organic solvents such as DMSO or ethanol for cell culture applications.
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| Animal Protocol |
In vivo animal experiments for trans-Caffeoyl-6-OD-gluconic acid have not been reported in the published literature. The compound has been studied primarily as a natural product from Evodia rutaecarpa. No animal studies have been conducted to evaluate its pharmacological effects, toxicity, or pharmacokinetics. Further research would be required to investigate its potential therapeutic applications in vivo.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of trans-Caffeoyl-6-OD-gluconic acid have not been characterized. The compound has a molecular weight of 358.30 g/mol and a molecular formula of C₁₅H₁₈O₁₀. As a glycosylated caffeoyl ester with multiple hydroxyl groups, it is expected to have limited oral bioavailability due to its hydrophilic nature. The compound may undergo hydrolysis in the gastrointestinal tract to release caffeic acid and gluconic acid. Storage: room temperature. Purity ≥98%.
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| Toxicity/Toxicokinetics |
The toxicological profile of trans-Caffeoyl-6-OD-gluconic acid has not been extensively documented. As a natural caffeoyl ester from Evodia rutaecarpa, it is expected to have a relatively favorable safety profile. However, comprehensive toxicological evaluations including acute toxicity, genotoxicity, and repeated-dose studies have not been reported. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
trans-Caffeoyl-6-OD-gluconic acid (CAS# 1147861-80-0, molecular formula C₁₅H₁₈O₁₀, molecular weight 358.30) is a natural phenylpropanoid ester from Evodia rutaecarpa fruits. Also known as trans-caffeoyl-6-O-D-gluconic acid. No clinical trials or regulatory approvals have been identified. Purity ≥98%.
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| Molecular Formula |
C15H18O10
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|---|---|
| Molecular Weight |
358.3
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| Exact Mass |
358.089
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| CAS # |
1147861-80-0
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| PubChem CID |
163321595
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.659±0.06 g/cm3(Predicted)
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| Boiling Point |
801.9±65.0 °C(Predicted)
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| LogP |
-1.4
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| Hydrogen Bond Donor Count |
7
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
25
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| Complexity |
479
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| Defined Atom Stereocenter Count |
4
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| SMILES |
OC(COC(=O)\C=C\c1ccc(O)c(O)c1)C(O)C(O)C(O)C(O)=O
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| InChi Key |
IZTWJFXKOMYWBU-XAVAJTHBSA-N
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| InChi Code |
InChI=1S/C15H18O10/c16-8-3-1-7(5-9(8)17)2-4-11(19)25-6-10(18)12(20)13(21)14(22)15(23)24/h1-5,10,12-14,16-18,20-22H,6H2,(H,23,24)/b4-2+/t10-,12-,13+,14-/m1/s1
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| Chemical Name |
(2R,3S,4R,5R)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3,4,5-tetrahydroxyhexanoic 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 | 2.7910 mL | 13.9548 mL | 27.9096 mL | |
| 5 mM | 0.5582 mL | 2.7910 mL | 5.5819 mL | |
| 10 mM | 0.2791 mL | 1.3955 mL | 2.7910 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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