dA-NHbenzylOCF3
Based on 1 Customer Validation
dA-NHbenzylOCF3 is a DNA-targeted radiosensitizer that enhances the sensitivity of tumor cells to X-rays via the dissociative electron attachment (DEA) mechanism. dA-NHbenzylOCF3 shows low cytotoxicity to normal cells and mainly localizes to the cytoplasm and nucleus after entering cells. dA-NHbenzylOCF3 exerts its radiosensitizing effect by inducing cell cycle arrest at the radiation-sensitive G2/M phase. dA-NHbenzylOCF3 can be used for radiosensitization research on malignant tumors such as prostate cancer and breast cancer.
For research use only. We do not sell to patients.
- Purity : 98.04%
- Formula: C18H19F3N6O4
- Molecular Weight:440.38
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Protocols
- Purity & Documentation
- References
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Help & FAQs
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Biological Activity
Description
In Vitro
dA-NHbenzylOCF3 (0.001-100 µM; 48-72 h) exhibits low cytotoxicity against PC3, MCF-7 and HaCaT cells, with statistically significant decreases in cell viability observed only at 20 µM (PC3, 72 h) and 100 µM (all cell lines, 48/72 h)[1].
dA-NHbenzylOCF3 (20 µM; administered 48 h prior to irradiation with 1, 3, 4 Gy) significantly enhances the radiosensitivity of PC3 and MCF-7 cells to X-rays at a statistical level, with stronger activity against PC3 cells (an α elevation factor of 2.1 versus 1.5 for MCF-7 cells), and the dose enhancement factors are 1.30 (PC3) and 1.21 (MCF-7), respectively[1].
When combined with X-ray irradiation, dA-NHbenzylOCF3 (20 µM; treated for 48 h before 8 Gy irradiation; incubated for 24 h after irradiation) regulates the cell cycle progression of PC3 and MCF-7 cells, increases the proportion of cells in the radiation-sensitive G2/M phase, and this effect is more pronounced in PC3 cells[1].
dA-NHbenzylOCF3 (20-100 µM; 48 h) penetrates PC3 cells, localizes primarily in the cytoplasm (with a cytoplasm-to-nucleus ratio ranging from 26:1 to 22:1), and exists exclusively in the non-phosphorylated form[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:PC3 (human prostate cancer), MCF-7 (human breast cancer), HaCaT (immortalized human keratinocyte)
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Concentration:0.001, 0.01, 0.1, 1, 10, 20, 100 µM
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Incubation Time:48 h; 72 h
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Result:Reduced PC3 cell viability to 86.3% (48 h) and 80.8% (72 h,) at 100 µM; reduced viability to 88.5% (72 h) at 20 µM.
Reduced MCF-7 cell viability to 91.9% (48 h) and 87.5% (72 h) at 100 µM.
Reduced HaCaT cell viability to 84.2% (48 h) and 76.3% (72 h) at 100 µM.
Caused no statistically significant viability reduction at lower tested concentrations for any cell line.
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Cell Line:PC3 (human prostate cancer), MCF-7 (human breast cancer)
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Concentration:20 µM
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Incubation Time:48 h prior to irradiation with 8 Gy; 24 h incubation post-irradiation
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Result:Reduced PC3 cell G0/G1 phase fraction from 47.8% to 36.3% and increased G2/M phase fraction from 46.1% to 56.8% when combined with 8 Gy irradiation compared to irradiation alone.
Reduced MCF-7 cell G0/G1 phase fraction from 43.3% to 41.7% and increased G2/M phase fraction from 43.8% to 48.4% when combined with 8 Gy irradiation compared to irradiation alone.
Had no significant effect on cell cycle distribution compared to control when used alone in either cell line.
Chemical Information
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Appearance Solid
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Molecular Weight 440.38
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Formula C18H19F3N6O4
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Color White to off-white
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SMILES
O[C@H]1C[C@@H](O[C@@H]1CO)N2C(NCC3=CC=C(OC(F)(F)F)C=C3)=NC4=C(N=CN=C42)N
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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 (227.08 mM; Need ultrasonic; 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: ≥ 2.5 mg/mL (5.68 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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.
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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Cell Cytotoxicity Assay
Cytotoxicity assays are usually based on the assessment of cell membrane damage, which can also be indirectly detected by measuring cell viability. Detection methods include MTT assay, CKK-8 assay, LDH assay and ATP assay, etc.
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Mammalian live/dead viability and cytotoxicity staining
Live/dead viability and cytotoxicity staining assays are based on the simultaneous detection of intracellular esterase activity in metabolically active (viable) cells and membrane integrity loss in non-viable cells. In commonly used dual-staining approaches, membrane-permeant fluorogenic substrates are converted by intracellular esterases into fluorescent products in live cells, while impermeant DNA-binding dyes selectively enter cells with compromised plasma membranes and label nucleic acids in dead or dying cells, enabling discrimination between viable and non-viable populations by fluorescence microscopy or flow cytometry.
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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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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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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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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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Cell Viability Determination by MTT Colorimetric Assay
The following protocol uses the MTT colorimetric assay as a classic literature-established method for assessing cell viability/metabolic activity in cultured mammalian cells. MTT[3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide] is reduced by metabolically active cells to a colored formazan product; the amount of formazan is quantified spectrophotometrically and provides an indirect measure of metabolically active viable cells. Importantly, MTT reduction reflects cellular oxidoreductase/metabolic activity rather than an absolute direct count of living cells, so changes in cellular metabolism can alter the signal independently of cell number.
Purity & Documentation
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Data Sheet (276 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 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 |
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| DMSO | 1 mM | 2.2708 mL | 11.3538 mL | 22.7077 mL | 56.7692 mL |
| 5 mM | 0.4542 mL | 2.2708 mL | 4.5415 mL | 11.3538 mL | |
| 10 mM | 0.2271 mL | 1.1354 mL | 2.2708 mL | 5.6769 mL | |
| 15 mM | 0.1514 mL | 0.7569 mL | 1.5138 mL | 3.7846 mL | |
| 20 mM | 0.1135 mL | 0.5677 mL | 1.1354 mL | 2.8385 mL | |
| 25 mM | 0.0908 mL | 0.4542 mL | 0.9083 mL | 2.2708 mL | |
| 30 mM | 0.0757 mL | 0.3785 mL | 0.7569 mL | 1.8923 mL | |
| 40 mM | 0.0568 mL | 0.2838 mL | 0.5677 mL | 1.4192 mL | |
| 50 mM | 0.0454 mL | 0.2271 mL | 0.4542 mL | 1.1354 mL | |
| 60 mM | 0.0378 mL | 0.1892 mL | 0.3785 mL | 0.9462 mL | |
| 80 mM | 0.0284 mL | 0.1419 mL | 0.2838 mL | 0.7096 mL | |
| 100 mM | 0.0227 mL | 0.1135 mL | 0.2271 mL | 0.5677 mL |
dA-NHbenzylOCF3 Related Classifications
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