| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
(E/Z)-Ginkgolic acid C17:2 targets human dihydroorotate dehydrogenase (DHODH), a key enzyme in the de novo pyrimidine biosynthesis pathway. Molecular docking and dynamics studies have identified DHODH as a protein target of ginkgolic acid. The compound binds tightly to DHODH, inhibiting its enzymatic activity. By targeting DHODH, (E/Z)-Ginkgolic acid C17:2 disrupts pyrimidine nucleotide synthesis, which is critical for rapidly proliferating cells. This mechanism underlies its notable anticancer activity across various cancer types and makes it a valuable tool for studying DHODH-related metabolic pathways.
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| ln Vitro |
(E/Z)-Ginkgolic acid C17:2 has demonstrated notable anticancer activity across various cancer types in vitro. The compound binds tightly to human DHODH, inhibiting its enzymatic activity. Molecular docking and dynamics studies have confirmed DHODH as a protein target of ginkgolic acid. The compound's ability to inhibit DHODH disrupts pyrimidine nucleotide synthesis, leading to antiproliferative effects in cancer cells. These in vitro findings support the compound's potential as a research tool for studying DHODH inhibition and developing anticancer therapies targeting pyrimidine metabolism.
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| ln Vivo |
In vivo activity data for (E/Z)-Ginkgolic acid C17:2 are not extensively documented in the available literature. The compound is a natural product isolated from Ginkgo biloba and has demonstrated anticancer activity in various cancer types. As a DHODH inhibitor, it is expected to have antiproliferative effects in vivo. Further studies, including efficacy in animal models of cancer, would be required to fully characterize the compound's therapeutic potential. The compound serves as a valuable tool for studying DHODH-related metabolic pathways and developing targeted therapies.
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| Enzyme Assay |
The in vitro enzyme assay for (E/Z)-Ginkgolic acid C17:2 involves measuring its binding to and inhibition of human DHODH. Recombinant human DHODH is expressed and purified. Enzyme activity is assessed by spectrophotometrically monitoring the reduction of an electron acceptor, such as 2,6-dichloroindophenol (DCIP), coupled to the oxidation of dihydroorotate. (E/Z)-Ginkgolic acid C17:2 is incubated with the enzyme and substrate at various concentrations. Molecular docking and dynamics studies are used to confirm binding and identify interaction sites. Binding affinity and inhibition potency are quantified by IC50 or Ki values.
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| Cell Assay |
In vitro cellular assays for (E/Z)-Ginkgolic acid C17:2 typically use cancer cell lines to assess antiproliferative effects. Cells are treated with the compound at various concentrations for 48-72 hours. Cell viability is measured using standard assays such as MTT, CellTiter-Glo, or trypan blue exclusion. The compound's ability to inhibit cell proliferation is quantified as the half-maximal inhibitory concentration (IC50). Additionally, the effects on cell cycle progression and apoptosis can be assessed by flow cytometry. These assays confirm the compound's cellular activity and support its use in cancer research.
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| Animal Protocol |
In vivo animal experiments for (E/Z)-Ginkgolic acid C17:2 are not extensively documented. As a natural product with anticancer activity, standard in vivo efficacy studies would involve mouse xenograft models of various cancer types. Tumor-bearing mice would be administered (E/Z)-Ginkgolic acid C17:2 via oral or parenteral routes. Tumor growth would be monitored, and tissues would be collected for analysis of DHODH inhibition, pyrimidine nucleotide levels, and biomarkers of cell proliferation and apoptosis. Pharmacodynamic studies could evaluate target engagement and pathway modulation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (E/Z)-Ginkgolic acid C17:2 are not extensively documented. As a natural alkylphenol with a molecular weight of 372.54, the compound is expected to have reasonable bioavailability. It is soluble in methanol, ethanol, and DMSO. Its long-chain alkyl side chain may influence its absorption, distribution, and metabolism. Further pharmacokinetic studies, including assessments of absorption, distribution, metabolism, and excretion (ADME), are necessary to fully characterize its PK profile and support its development as a therapeutic agent.
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| Toxicity/Toxicokinetics |
Toxicological data for (E/Z)-Ginkgolic acid C17:2 are not extensively available in the public domain. As a natural product isolated from Ginkgo biloba, the compound's safety profile is not well characterized. Standard cytotoxicity assays in cancer cell lines are typically performed to assess antiproliferative effects. Ginkgolic acids are known to have potential toxicity concerns, and further preclinical toxicology studies would be required to assess safety, determine no-observed-adverse-effect levels (NOAEL), and evaluate potential off-target effects before clinical development.
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| References | |
| Additional Infomation |
(E/Z)-Ginkgolic acid C17:2 is a naturally occurring alkylphenol from Ginkgo biloba featuring a 17-carbon chain with two double bonds in mixed (E/Z) configurations. It targets human DHODH and has demonstrated notable anticancer activity across various cancer types. Molecular docking studies have identified DHODH as a protein target. The compound has a molecular weight of 372.54 and formula C24H36O3. It is used as a research tool for studying DHODH inhibition and anticancer mechanisms. No clinical trials or regulatory approvals have been reported.
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| Molecular Formula |
C24H36O3
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|---|---|
| Molecular Weight |
372.54
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| Exact Mass |
372.266
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| CAS # |
102811-39-2
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| PubChem CID |
101926662
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| Appearance |
Off-white to light yellow ointment
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
519.5±50.0 °C at 760 mmHg
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| Flash Point |
282.1±26.6 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.533
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| LogP |
9.99
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
27
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| Complexity |
427
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C(C(O)=O)=C(O)C=CC=1)CCCCCCC/C=C/C/C=C/CCCCC
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| InChi Key |
OFFQPVDOVYHTBX-AVQMFFATSA-N
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| InChi Code |
InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h6-7,9-10,17,19-20,25H,2-5,8,11-16,18H2,1H3,(H,26,27)/b7-6+,10-9+
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| Chemical Name |
2-[(8E,11E)-heptadeca-8,11-dienyl]-6-hydroxybenzoic 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) |
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 | 2.6843 mL | 13.4214 mL | 26.8428 mL | |
| 5 mM | 0.5369 mL | 2.6843 mL | 5.3686 mL | |
| 10 mM | 0.2684 mL | 1.3421 mL | 2.6843 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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