| Targets |
Yadanziolide B targets viral neuraminidase, specifically the H5N1 subtype, as a potential inhibitor. The compound interacts with specific molecular targets and pathways. As a quassinoid, it may also modulate host immune responses through its regulatory effect on cytokine signaling. The compound's cytotoxic activity suggests it may target cellular pathways involved in cell proliferation and survival.
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|---|---|
| ln Vitro |
In cell-free biochemical systems, Yadanziolide B suppresses viral genome replication, making it a significant tool for mechanistic antiviral research. The compound exhibits cytotoxic activities with IC50 values of 3.00-5.81 μM. It shows potential as an H5N1 neuraminidase inhibitor. The compound's regulatory effect on cytokine signaling supports studies of innate antiviral defense activation.
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| ln Vivo |
Yadanziolide B has not been extensively characterized for in vivo activity. As a quassinoid with cytotoxic and antiviral properties, it may have potential for in vivo evaluation in models of viral infection or cancer. The compound's ability to suppress viral replication suggests it could be effective in animal models of influenza or other viral diseases. Further studies are required to establish its in vivo efficacy and pharmacokinetic profile.
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| Enzyme Assay |
The cell-free assay for Yadanziolide B typically involves measuring its inhibition of viral neuraminidase activity. The compound is incubated with purified neuraminidase enzyme and a fluorogenic substrate, and the reduction in enzymatic activity is measured. The IC50 for neuraminidase inhibition is determined from dose-response curves. Cytotoxicity can be assessed using standard cell-free assays measuring the compound's ability to inhibit cell proliferation or induce cell death.
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| Cell Assay |
Cell-based assays for Yadanziolide B involve culturing cancer cell lines and treating them with the compound at concentrations ranging from 0.1 to 100 μM. Cells are incubated for 24-72 hours, and cell viability is assessed using MTT or CCK-8 assays. The IC50 values of 3.00-5.81 μM are determined from dose-response curves. Antiviral activity can be assessed by measuring viral replication in infected cell cultures using qRT-PCR or plaque assays.
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| Animal Protocol |
There is no established animal experimental protocol for Yadanziolide B specifically. As a quassinoid with potential antiviral and anticancer activities, the compound could potentially be evaluated in animal models of viral infection or cancer. Typical studies involve administration of the compound to mice via intraperitoneal or oral routes. Viral load, tumor growth, and survival would be assessed as appropriate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Yadanziolide B have not been extensively reported. As a natural quassinoid with a molecular weight of 442.41 g/mol, the compound would be expected to have moderate oral bioavailability and tissue penetration. The compound is typically stored at low temperatures for research use. Further pharmacokinetic studies would be required to determine plasma half-life, clearance, and metabolic pathways.
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| Toxicity/Toxicokinetics |
Yadanziolide B is intended for research use only and lacks established toxicity profiles for therapeutic applications. Standard laboratory safety precautions should be observed when handling this natural product. As a quassinoid with cytotoxic activity, it may have effects on normal cells as well as cancer cells. The compound is typically stored as a powder at -20°C for long-term stability. Standard toxicity studies would be required for therapeutic development.
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| References | |
| Additional Infomation |
Yadanziolide B is a quassinoid compound with the structure 13,20-epoxymatrine-3-ene, substituted with hydroxyl groups at positions 1, 6, 11, 12, 14, 15, and 21, and with carbonyl groups at positions 2 and 16. It was isolated from the ethanol extract of the stem of Brucea mollis and exhibits cytotoxic activity. It can be used as an antitumor drug and a plant metabolite. Yadanziolide B is a quassinoid compound, δ-lactone, enone, organic heteropentane compound, heptanol, and secondary α-hydroxy ketone. It is derived from the hydride of matrine. It has been reported that Yadanziolide B is present in both Brucea mollis and Brucea javanica, and relevant data are available for reference.
Yadanziolide B is a research-grade natural product supplied for antiviral and anticancer research. It is not an approved pharmaceutical and has no clinical trial history. The compound is a natural quassinoid from Brucea mollis with cytotoxic and potential antiviral activities. It is a plant metabolite and has a role as an antineoplastic agent. This product is intended for research use only. |
| Exact Mass |
442.148
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|---|---|
| CAS # |
95258-13-2
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| PubChem CID |
11744055
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| Appearance |
Typically exists as solid at room temperature
|
| LogP |
-3.9
|
| Hydrogen Bond Donor Count |
7
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
31
|
| Complexity |
904
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| Defined Atom Stereocenter Count |
12
|
| InChi Key |
QPBBQXZJTIVCTO-VWXLKGNHSA-N
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| InChi Code |
InChI=1S/C20H26O11/c1-6-3-7(22)12(25)17(2)8(6)9(23)15-18-5-30-19(4-21,13(26)10(24)11(17)18)20(18,29)14(27)16(28)31-15/h3,8-15,21,23-27,29H,4-5H2,1-2H3/t8-,9-,10-,11-,12-,13+,14+,15-,17+,18+,19-,20+/m1/s1
|
| Chemical Name |
(1R,2R,3R,6S,7R,8S,12S,13S,14R,15R,16S,17R)-2,3,7,12,15,16-hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
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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.) |
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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