PMMB276
Based on 1 Customer Validation
PMMB276, a Shikonin (HY-N0822) derivative, is a potent Tubb3 inhibitor. PMMB276 inhibits microtubule polymerization, induces G2/M cell cycle arrest and apoptosis in TNBC cells through the Cdc20/AKT2/Bcl-2 signaling axis. PMMB276 suppresses MDA-MB-231 tumor growth in mice without causing significant toxicity. PMMB276 can be used for the study of triple-negative breast cancer (TNBC).
For research use only. We do not sell to patients.
- Purity : 99.81%
- CAS No.: 2209036-28-0
- Formula: C31H34O6S2
- Molecular Weight:566.73
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
Biological Activity
Description
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| MDA-MB-231 | IC50 |
3.10 μM
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Antiproliferative activity against human MDA-MB-231 TNBC cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
Antiproliferative activity against human MDA-MB-231 TNBC cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
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38377719 |
| MDA-MB-468 | IC50 |
4.35 μM
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Antiproliferative activity against human MDA-MB-468 TNBC cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
Antiproliferative activity against human MDA-MB-468 TNBC cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
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38377719 |
| MDA-MB-453 | IC50 |
6.87 μM
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Antiproliferative activity against human MDA-MB-453 TNBC cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
Antiproliferative activity against human MDA-MB-453 TNBC cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
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38377719 |
| HCC1937 | IC50 |
8.92 μM
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Antiproliferative activity against human HCC1937 TNBC cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
Antiproliferative activity against human HCC1937 TNBC cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
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38377719 |
| MCF-10A | IC50 |
79.94 μM
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Cytotoxicity against human MCF-10A mammary epithelial cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
Cytotoxicity against human MCF-10A mammary epithelial cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
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38377719 |
| L02 | IC50 |
69.46 μM
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Cytotoxicity against human L-02 normal hepatocytes assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
Cytotoxicity against human L-02 normal hepatocytes assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Glo Luminescent Cell Viability Assay
|
38377719 |
In Vitro
PMMB276 (1-106 nM; 24 h) inhibits the proliferation of TNBC cell lines MDA-MB-231, MDA-MB-453, MDA-MB-468, and HCC1937 with IC50 values ranging from approximately 10 to 40 nM, and exhibits no significant inhibitory effects on non-cancerous MCF-10A cells at concentrations up to 100 μM[1].
PMMB276 (0.1-100 μM; 24 h) exhibits selective cytotoxicity against a panel of TNBC cell lines[1].
PMMB276 (1-8 μM; 24 h) induces apoptosis in a dose-dependent manner in MDA-MB-231 cells[1].
PMMB276 (1, 2, 4 μM; 24 h) increases cleaved caspase-3 and cleaved PARP expression, decreases total AKT2, phospho-AKT2 (Ser474), Bcl-2, and phospho-Bcl-2 (Ser70) levels, and downregulates cell cycle-associated proteins Cdc20, CDK1, and cyclin B1 in MDA-MB-231 cells[1].
PMMB276 (2, 4 μM; 24 h) induces G2/M phase cell cycle arrest in MDA-MB-231 cells, increases the proportion of cells in G2/M phase from 18.6% (control) to 43.2% (4 μM)[1].
PMMB276 (5 μM; 60 min) inhibits tubulin polymerization in vitro[1].
PMMB276-biotin (4 μM; 24 h) binds directly to Tubb3 in MDA-MB-231 cells[1].
PMMB276 (2, 4, 8 μM; 24 h) decreases Tubb3 protein expression in MDA-MB-231 cells and shows no significant effects on Tbb1 or Tubb2b expression[1].
PMMB276-biotin (4 μM; 24 h) co-localizes with Tubb3 in the cytoplasm of MDA-MB-231 cells[1].
PMMB276 (4 μM; 24 h) does not further increase apoptosis in Tubb3-knockdown MDA-MB-231 cells compared to knockdown alone[1].
PMMB276 (4 μM; 24 h) suppresses AKT2 activity in G2/M phase-synchronized cells and triggers further AKT2 downregulation upon Cdc20 knockdown[1].
PMMB276 (4 μM; 24 h) increases the expression of pro-apoptotic genes Bad, Bax, and PARP in MDA-MB-231 cells[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. Further protocols information, click here.
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Cell Line:MDA-MB-231, MCF-10A, L-02
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Concentration:0.1, 1, 10, 100 μM
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Incubation Time:24 h
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Result:Inhibited MDA-MB-231 cell proliferation with an IC50 of 3.10 μM.
Showed no inhibitory effects on non-cancer cell lines MCF-10A and L-02 at concentrations up to 100 μM.
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Cell Line:TNBC cell lines (MDA-MB-231, MDA-MB-453, MDA-MB-468, HCC1937, BT474) and MCF-10A
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Concentration:1-10[6] nM
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Incubation Time:24 h
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Result:Showed selective cytotoxicity against TNBC cells.
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Cell Line:MDA-MB-231 cells
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Concentration:1, 2, 4, 8 μM
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Incubation Time:24 h
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Result:Induced apoptosis in a dose-dependent manner.
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Cell Line:MDA-MB-231 cells
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Concentration:2, 4 μM
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Incubation Time:24 h
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Result:Induced G2/M phase cell cycle arrest.
Increased the proportion of cells in G2/M phase from 18.6% to 43.2% (4 μM).
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Cell Line:MDA-MB-231 cells
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Concentration:1, 2, 4 μM
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Incubation Time:24 h
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Result:Increased cleaved caspase-3 and cleaved PARP.
Decreased total AKT2, p-AKT2 (Ser474), Bcl-2, p-Bcl-2 (Ser70).
Downregulated Cdc20, CDK1, and cyclin B1 expression.
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Cell Line:MDA-MB-231 cells
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Concentration:2, 4, 8 μM
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Incubation Time:24 h
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Result:Decreased Tubb3 protein expression; no effect on Tbb1 or Tubb2b.
Showed no significant effects on Tbb1 or Tubb2b expression.
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Cell Line:MDA-MB-231 cells (siCdc20)
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Concentration:4 μM
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Incubation Time:24 h
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Result:Triggered further AKT2 downregulation.
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Cell Line:MDA-MB-231 cells
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Concentration:4 μM
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Incubation Time:24 h
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Result:Co-localized with Tubb3 in the cytoplasm.
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Cell Line:MDA-MB-231 cells (siTubb3 or PMMB276-treated)
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Concentration:4 μM
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Incubation Time:24 h
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Result:Increased expression of pro-apoptotic genes Bad, Bax, and PARP.
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:MDA-MB-231 xenograft model in female Balb/c nude mice (4-5 weeks old, 18-20 g)[1]
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Dosage:2, 4 mg/kg
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Administration:i.p.; every other day for 14 days
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Result:Suppressed tumor growth vs vehicle.
Reduced tumor weight-to-body weight ratio.
Showed no significant body weight change.
Showed no obvious toxicity.
Decreased Ki-67 expression in tumor tissues.
Prolonged overall survival.
Decreased Tubb3 and AKT2 expression in tumors.
Chemical Information
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CAS No. 2209036-28-0
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Appearance Solid
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Molecular Weight 566.73
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Formula C31H34O6S2
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Color Brown to reddish brown
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SMILES
O=C(C1=C(C=CC(O)=C12)O)C=C([C@@H](C/C=C(C)/C)OC(CCCC[C@H]3SC(SCC3)C4=CC=CC=C4)=O)C2=O
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
In Vitro:
DMSO : 100 mg/mL (176.45 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 5 mg/mL (8.82 mM); Clear solution
This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 5 mg/mL (8.82 mM); Suspended solution
This protocol yields a suspended solution of ≥ 5 mg/mL (saturation unknown). Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Protocols
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Detection of Apoptosis
Apoptosis, also called programmed cell death, is generally characterized by distinct morphological characteristics.
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TUNEL staining for apoptotic DNA fragmentation
TUNEL staining detects DNA strand breaks by using terminal deoxynucleotidyl transferase to add labeled nucleotides to exposed 3′-OH DNA termini, generating either microscopic staining in fixed cells or tissue sections, or fluorescence/cytometric signal in cell suspensions. TUNEL positivity reflects DNA fragmentation but should not be interpreted alone as definitive apoptosis, because TUNEL can also label necrotic, autolytic, mechanically damaged, or DNA-repair-associated DNA breaks.
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Flow cytometric DNA-content cell-cycle staining
Flow cytometric DNA-content cell-cycle staining measures the fluorescence intensity of DNA-bound fluorochromes in single cells or nuclei to estimate DNA content distributions, allowing assignment of populations to G0/G1, S, and G2/M phases by DNA histogram deconvolution. Propidium iodide (PI) intercalates into DNA, and PI fluorescence is proportional to cellular DNA content when staining is performed under conditions that make DNA accessible and minimize non-DNA signal. Cells with G2/M DNA content are expected to show approximately twice the fluorescence intensity of G0/G1 cells, while S-phase cells occupy intermediate fluorescence values. PI-based DNA-content analysis can also detect cells with fractional DNA content, often reported as sub-G1, when DNA fragmentation and extraction during staining reduce retained DNA signal in apoptotic cells. DAPI is an alternative DNA fluorochrome for univariate DNA-content analysis, while bivariate approaches combining DNA content with proliferation
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Annexin V plus membrane-impermeant dye apoptosis staining
Annexin V-based apoptosis assays rely on the detection of phosphatidylserine (PS) externalization from the inner leaflet of the plasma membrane to the outer leaflet, an early biochemical hallmark of apoptosis. Fluorescently labeled Annexin V binds PS in a calcium-dependent manner, enabling identification of early apoptotic cells by flow cytometry or fluorescence microscopy. When combined with a membrane-impermeant DNA-binding dye (e. g. , propidium iodide), this approach allows discrimination between viable (Annexin V−/dye−), early apoptotic (Annexin V+/dye−), and late apoptotic or necrotic (Annexin V+/dye+) cell populations by assessing membrane integrity and PS exposure.
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BrdU Incorporation Assay
Bromodeoxyuridine (BrdU) incorporation assay is based on the principle that BrdU, a thymidine analog, is incorporated into newly synthesized DNA during the S phase of the cell cycle, thereby serving as a marker of DNA replication and cellular proliferation. Incorporated BrdU can be detected using anti-BrdU antibodies following DNA denaturation, enabling visualization or quantification of proliferating cells through immunochemical detection methods such as immunofluorescence or immunohistochemistry.
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Patient-Derived Xenograft (PDX)
Patient-derived xenograft (PDX) models are generated by engrafting primary human tumor tissue directly into immunodeficient mice, allowing in vivo propagation of patient tumor biology without initial in vitro adaptation. These models are used to preserve key histopathological and molecular characteristics of the original tumor and enable assessment of tumor growth dynamics and therapeutic response in a living organism. The biological readout is tumor engraftment and subsequent growth in the murine host, which reflects the ability of human tumor cells to survive, vascularize, and expand in an immunocompromised microenvironment.
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Apoptosis Solutions
Apoptosis is a regulated, generally non-lytic cell-death pathway that removes unwanted, damaged, infected, or abnormal cells through coordinated morphological changes, caspase activation, DNA fragmentation, and membrane remodeling. The intrinsic apoptosis pathway is controlled mainly by mitochondrial outer membrane permeabilization, BCL-2 family proteins, cytochrome c release, apoptosome formation, caspase-9 activation, and downstream executioner caspase-3/7 activation. The extrinsic apoptosis pathway is initiated by death receptors such as Fas, TNFR, and TRAIL receptors, which recruit adaptor proteins and activate caspase-8 before engaging executioner caspases or mitochondrial amplification through BID cleavage. Apoptosis is linked to many phenotypes, including cancer cell killing, tissue homeostasis, immune regulation, neurodegeneration, infection response, and treatment-induced cytotoxicity; unresolved questions include how apoptosis interacts with necroptosis, pyroptosis, ferroptos
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Patient-Derived Orthotopic Xenograft (PDOX)
Patient-derived orthotopic xenograft (PDOX) modeling implants fresh patient tumor tissue or patient-derived tumor cells into the anatomically corresponding organ or tissue site of immunodeficient mice, usually by surgical orthotopic implantation, to preserve patient tumor histology, local microenvironmental context, invasion, metastatic behavior, and treatment-response features better than subcutaneous implantation. PDOX readouts include tumor engraftment, orthotopic tumor growth, local invasion, metastasis, recurrence after resection, histologic similarity to the donor tumor, biomarker retention, molecular concordance, survival, and response or resistance to therapy. PDOX models are used for preclinical drug testing and individualized therapy evaluation, but engraftment success varies by tumor type and specimen quality.
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Protocol for Cell Cycle
Cell-cycle analysis by flow cytometry measures DNA content in single cells to estimate the fraction of cells in G0/G1, S, and G2/M phases. Propidium iodide intercalates into DNA, and after RNA removal with RNase, fluorescence intensity reflects cellular DNA content: 2N cells are assigned to G0/G1, cells between 2N and 4N to S phase, and 4N cells to G2/M. DNA-content analysis alone cannot reliably separate G0 from G1 or G2 from M. Ki-67 can distinguish quiescent G0 cells from cycling cells, EdU or BrdU incorporation marks active DNA synthesis in S phase, and phospho-histone H3 staining identifies mitotic cells within the 4N population.
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Subcutaneous Cell-Line-Derived Xenograft
Subcutaneous cell-line-derived xenograft (CDX) models are established by implanting cultured human cancer cell lines into immunodeficient mice, where the injected cells form localized tumors that can be monitored in vivo as a measure of tumorigenic potential, growth kinetics, and treatment response. These models are widely used in oncology research because they allow reproducible tumor formation and enable comparative assessment of tumor growth between different cell lines or genetic manipulations in a controlled in vivo microenvironment. Subcutaneous implantation of cancer cells in immunodeficient mice is a standard approach for evaluating tumor growth behavior and therapeutic response across multiple cancer types, including prostate, esophageal, pancreatic, and colon cancer models.
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Breast Cancer Modeling
Breast cancer is a heterogeneous cancer, and it has been distinguished into four subtypes: luminal A, luminal B, HER2-positive and basal-like. Molecular mutations, epigenetic alterations, hormone exposure and immune microenvironment are related to the progression of breast cancer.
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Orthotopic Cell-Line Xenograft
Orthotopic cell-line xenograft models involve implantation of human cancer cell lines into the anatomically corresponding organ of immunodeficient mice to reproduce tumor growth within a native microenvironment, enabling more clinically relevant tumor behavior compared with subcutaneous models. These models are widely used because orthotopic placement better recapitulates tumor progression, including invasion and metastatic spread, which are often underrepresented in heterotopic implantation systems. Compared with conventional xenografts, orthotopic implantation is described as more technically complex but provides improved simulation of tumor-microenvironment interactions and metastatic behavior, making it particularly valuable for translational oncology research. Surgical orthotopic implantation approaches have been emphasized as enabling faithful reproduction of clinical cancer features, including metastasis and disease progression patterns that align with the tumor’s organ of origi
Purity & Documentation
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Data Sheet (282 KB)
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SDS (254 KB)
- English - EN (254 KB)
- Français - FR (254 KB)
- Deutsch - DE (254 KB)
- Norwegian - NO (254 KB)
- Español - ES (254 KB)
- Swedish - SV (254 KB)
- Italian - IT (254 KB)
- Korean - KR (254 KB)
- Portuguese - PT (254 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.7645 mL | 8.8225 mL | 17.6451 mL | 44.1127 mL |
| 5 mM | 0.3529 mL | 1.7645 mL | 3.5290 mL | 8.8225 mL | |
| 10 mM | 0.1765 mL | 0.8823 mL | 1.7645 mL | 4.4113 mL | |
| 15 mM | 0.1176 mL | 0.5882 mL | 1.1763 mL | 2.9408 mL | |
| 20 mM | 0.0882 mL | 0.4411 mL | 0.8823 mL | 2.2056 mL | |
| 25 mM | 0.0706 mL | 0.3529 mL | 0.7058 mL | 1.7645 mL | |
| 30 mM | 0.0588 mL | 0.2941 mL | 0.5882 mL | 1.4704 mL | |
| 40 mM | 0.0441 mL | 0.2206 mL | 0.4411 mL | 1.1028 mL | |
| 50 mM | 0.0353 mL | 0.1765 mL | 0.3529 mL | 0.8823 mL | |
| 60 mM | 0.0294 mL | 0.1470 mL | 0.2941 mL | 0.7352 mL | |
| 80 mM | 0.0221 mL | 0.1103 mL | 0.2206 mL | 0.5514 mL | |
| 100 mM | 0.0176 mL | 0.0882 mL | 0.1765 mL | 0.4411 mL |