| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Basal-like 2 (BL2) subtype of triple-negative breast cancer (TNBC). Gnidilatidin also binds to protein kinase C (PKC) and possibly to the DNA-binding enzyme topoisomerase 1. Through PKC activation, gnidilatidin modulates multiple downstream signaling pathways including the AMPK/mTOR pathway, leading to cell cycle arrest and apoptosis.
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| ln Vitro |
Gnidilatidin (yuanhuacine) inhibits tumor growth in preclinical models. It activates AMPK and inhibits proliferation biomarkers Ki-67 and PCNA in tumor tissues. The compound induces G2/M cell cycle arrest in cancer cells. Binding of yuanhuacine to protein kinase C, and possibly to topoisomerase 1, triggers different cellular effects inducing upregulation of proteins such as p21, P38, and transcription factor Sp1. Gnidilatidin demonstrated potent latency-reversing activity (EC50 = 5.49 nM in J-Lat 10.6 cells) and downregulated CD4 and CXCR4, suggesting enhanced inhibition of HIV-1 entry.
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| ln Vivo |
In vivo, Gnidilatidin inhibited tumor growth by 33.4% and 38.8% in preclinical models, reduced tumor weight, activated AMPK, and inhibited proliferation biomarkers Ki-67 and PCNA in tumor tissues. The compound is orally active. Gnidilatidin has been studied in Sprague-Dawley rats following intravenous and oral administration to determine its pharmacokinetic parameters. As a DNA-damaging agent with oral activity, gnidilatidin shows promise as an orally available therapeutic for TNBC.
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| Enzyme Assay |
PKC activation is assessed using in vitro kinase assays with recombinant PKC isoforms and appropriate peptide substrates. Radioactive or luminescent assays are used to measure kinase activity. Topoisomerase 1 inhibition is assessed by measuring DNA relaxation or cleavage activity using supercoiled plasmid DNA as substrate in gel-based assays. Binding of gnidilatidin to PKC and topoisomerase 1 is confirmed by surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC). IC50 and EC50 values are calculated from dose-response curves using nonlinear regression analysis.
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| Cell Assay |
Cellular activity is evaluated in TNBC cell lines, particularly the BL2 subtype. Cells are treated with Gnidilatidin at various concentrations (typically 0.001-100 μM) for 24-72 hours. Cell viability is measured by MTT, MTS, or CellTiter-Glo assays. Cell cycle distribution is analyzed by flow cytometry following propidium iodide staining. Apoptosis is measured by caspase-3/7 activation assays, Annexin V/PI staining, or by measuring PARP cleavage via Western blot. AMPK activation and proliferation biomarkers (Ki-67, PCNA) are assessed by Western blot or immunohistochemistry. J-Lat 10.6 cells are used to assess latency-reversing activity (EC50 = 5.49 nM).
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| Animal Protocol |
In vivo efficacy is studied in mouse xenograft models of TNBC, particularly BL2 subtype tumors. Gnidilatidin is administered orally or via intraperitoneal injection at various doses (typically 1-100 mg/kg). Tumor growth is measured by caliper twice weekly and tumor volume is calculated. At study termination, tumors are excised and weighed. Tumor tissues are analyzed for AMPK activation, Ki-67 and PCNA expression by immunohistochemistry or Western blot. Pharmacokinetic studies are conducted in Sprague-Dawley rats following intravenous and oral administration.
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| ADME/Pharmacokinetics |
Gnidilatidin has a molecular formula of C37H44O10 and a molecular weight of 648.749 g/mol. Purity is typically >98% by HPLC. The compound is orally active. Pharmacokinetic parameters have been characterized in Sprague-Dawley rats after intravenous and oral administration. The compound is soluble in DMSO and should be stored at -20°C for long-term stability, protected from light and moisture. Gnidilatidin demonstrated potent latency-reversing activity (EC50 = 5.49 nM in J-Lat 10.6 cells).
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| Toxicity/Toxicokinetics |
Specific toxicological data for Gnidilatidin are not extensively published. As a DNA-damaging agent and anti-tumor compound, it should be handled with appropriate safety precautions in a biological safety cabinet. The compound is for research use only and not for human therapeutic applications without appropriate regulatory approval. Standard laboratory safety practices should be followed, including the use of personal protective equipment and proper disposal of hazardous waste.
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| References |
[3]. In vitro inhibitory effects of Daphne oleoides ssp. oleoides on inflammatory cytokines and activity-guided isolation of active constituents. Cytokine. 2001 Mar 21;13(6):359-64. PubMed PMID: 11292319. |
| Additional Infomation |
According to reports, genus daphne has been found in plants of the genus Daphne genkwa, Daphne odora, and Daphne oleoides, and relevant data are available.
See also: Genus daphne (note moved to). Gnidilatidin (yuanhuacine) is a research tool compound for studying TNBC biology, particularly the BL2 subtype. It is not approved for clinical use. The compound is a natural product derived from Daphne genkwa, a plant used in traditional Chinese medicine. Gnidilatidin has been investigated for its broad anti-tumor activity and potential as a therapeutic agent for TNBC. It has also demonstrated potent latency-reversing activity (EC50 = 5.49 nM in J-Lat 10.6 cells) and downregulated CD4 and CXCR4, suggesting enhanced inhibition of HIV-1 entry. The compound's mechanism involves PKC activation, AMPK/mTOR pathway modulation, and DNA damage, making it a valuable tool for understanding the molecular basis of TNBC and potentially identifying new therapeutic strategies. |
| Molecular Formula |
C37H44O10
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|---|---|
| Molecular Weight |
648.7393
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| Exact Mass |
648.293
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| CAS # |
60195-70-2
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| PubChem CID |
5358691
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| Appearance |
White to off-white solid powder
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| Density |
1.35g/cm3
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| Boiling Point |
765.9ºC at 760 mmHg
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| Flash Point |
236.9ºC
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| Index of Refraction |
1.633
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| LogP |
3.704
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
47
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| Complexity |
1410
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| Defined Atom Stereocenter Count |
12
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| SMILES |
CCCCC/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO
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| InChi Key |
CGSGRJNIABXQJQ-LLGIUDOKSA-N
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| InChi Code |
InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h10-19,23,25-26,28-30,32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,26+,28-,29-,30-,32-,33+,34+,35-,36-,37+/m1/s1
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| Chemical Name |
Simplexin, 12-(benzoyloxy)-22,23,24,25-tetradehydro-, (12-beta,22E,24E)-
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| Synonyms |
Gnidilatidin Yuanhuacin
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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 (~154.14 mM)
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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 | 1.5414 mL | 7.7072 mL | 15.4145 mL | |
| 5 mM | 0.3083 mL | 1.5414 mL | 3.0829 mL | |
| 10 mM | 0.1541 mL | 0.7707 mL | 1.5414 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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