| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
PELI1-IN-1 targets Pellino-1 (PELI1), an E3 ubiquitin ligase that functions through both its catalytic RING domain and its phosphoprotein-binding FHA domain. The compound is a structurally optimized resveratrol derivative that binds to the FHA domain of PELI1, disrupting the PELI1–SNAIL/SLUG interaction. By inhibiting PELI1, the compound modulates oncogenic signaling and inflammation pathways involved in cancer metastasis.
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| ln Vitro |
PELI1-IN-1 shows potent in vitro activity as a PELI1 inhibitor with a binding affinity (Kd) of 8.2 μM for the FHA domain, representing a ~15-fold improvement over resveratrol. The compound selectively inhibits TNBC cell migration (MDA-MB-231 migration reduced to 29.8% at 20 μM) without cytotoxicity. PELI1-IN-1 disrupts the PELI1–SNAIL/SLUG interaction, which is critical for cancer cell migration and metastasis.
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| ln Vivo |
In vivo activity of PELI1-IN-1 has been demonstrated in preclinical models of triple-negative breast cancer metastasis. The compound suppresses experimental lung metastasis with no observable in vivo toxicity. This anti-metastatic activity is achieved through inhibition of PELI1-mediated signaling pathways that promote cancer cell migration and invasion.
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| Enzyme Assay |
Non-cell-based binding assays for PELI1-IN-1 typically involve measuring the affinity of the compound for the FHA domain of PELI1. A standard protocol includes surface plasmon resonance (SPR) or fluorescence polarization (FP) using purified PELI1 FHA domain protein. The compound is incubated with the protein at various concentrations, and binding affinity (Kd) is calculated from the response data. The compound's ability to disrupt PELI1–SNAIL/SLUG interaction can be assessed using biochemical binding assays.
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| Cell Assay |
Cellular assays for PELI1-IN-1 typically involve triple-negative breast cancer cell lines such as MDA-MB-231. A representative protocol includes culturing cells in appropriate medium, treating with PELI1-IN-1 at various concentrations (1–50 μM) for 24–72 hours, and assessing cell migration using scratch wound healing or Transwell assays. Cell viability is assessed using MTT or CellTiter-Glo assays to confirm lack of cytotoxicity.
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| Animal Protocol |
In vivo animal studies with PELI1-IN-1 are conducted in mouse models of triple-negative breast cancer metastasis. A typical protocol involves intravenous injection of MDA-MB-231 cells to establish lung metastasis, followed by administration of PELI1-IN-1 via oral gavage or intraperitoneal injection at doses determined from pharmacokinetic studies. Lung metastasis burden is assessed by histological analysis and quantification of metastatic nodules.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PELI1-IN-1 have not been extensively reported in the available literature. As a small molecule with a molecular weight of 320.3 g/mol, it is expected to have reasonable oral bioavailability and tissue distribution. The compound is typically stored as a powder at -20°C for up to 3 years. Further PK studies are needed to fully characterize its absorption, distribution, metabolism, and excretion profile.
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| Toxicity/Toxicokinetics |
As a research compound, PELI1-IN-1 is not intended for human therapeutic use, and comprehensive toxicological data are limited to preclinical studies. The compound shows no observable in vivo toxicity in preclinical models. Standard safety assessments would include cytotoxicity screening, hERG channel inhibition testing, and preliminary toxicology studies in animal models to determine maximum tolerated dose and identify potential target organs of toxicity.
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| References | |
| Additional Infomation |
PELI1-IN-1 (compound 3d) is a potent, resveratrol-derived inhibitor of the E3 ubiquitin ligase PELI1, optimized for direct FHA-domain binding. The compound selectively inhibits TNBC cell migration without cytotoxicity and suppresses experimental lung metastasis with no observable in vivo toxicity. PELI1-IN-1 is referenced in the primary literature (European Journal of Medicinal Chemistry, 2023) for its anti-metastatic activity in triple-negative breast cancer.
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| Molecular Formula |
C20H16O4
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| Molecular Weight |
320.34
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| Appearance |
Off-white to light yellow solid powder
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| SMILES |
OC1=CC(O)=CC(/C=C/C2=C(C=CC(C3=CC=CC(O)=C3)=C2)O)=C1
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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) |
Typically soluble in DMSO (e.g. 10 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.80 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 (25.0 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: ≥ 2.5 mg/mL (7.80 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 (25.0 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: ≥ 2.5 mg/mL (7.80 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 (25.0 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 | 3.1217 mL | 15.6084 mL | 31.2168 mL | |
| 5 mM | 0.6243 mL | 3.1217 mL | 6.2434 mL | |
| 10 mM | 0.3122 mL | 1.5608 mL | 3.1217 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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