Polθ/PARP-IN-1
Based on 1 Customer Validation
Polθ/PARP-IN-1 (compound 25d) is a potent dual DNA polymerase theta (Polθ) and PARP inhibitor with IC50 values of 45.6, 5.4 nM, respectively. Polθ/PARP-IN-1 shows antiproliferative activity. Polθ/PARP-IN-1 induces apoptosis and cell cycle arrest at G2/M phase, causes DNA damage. Polθ/PARP-IN-1 shows anti-tumor activity.
For research use only. We do not sell to patients.
- Purity: 98.89%
- CAS No.: 3056709-95-3
- Formula: C38H33ClFN7O5S
- Molecular Weight:754.23
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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Bioactive Compound Library Max
HY-L181
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Bioactive Compound Library
HY-L001
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Apoptosis Compound Library
HY-L003
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Cell Cycle/DNA Damage Compound Library
HY-L004
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Epigenetics Compound Library
HY-L005
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Anti-Cancer Compound Library
HY-L025
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Anti-Aging Compound Library
HY-L034
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Anti-Breast Cancer Compound Library
HY-L074
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Anti-Pancreatic Cancer Compound Library
HY-L077
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Cell Death Library
HY-L162
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Anti-Ovarian Cancer Compound Library
HY-L173
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MCE Bioactive Compound Library
HY-L001V
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Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library
HY-L199
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High-Throughput Bioactive Compound Library
HY-L205
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High-Efficiency Gene Editing Compound Library
HY-L244
All DNA/RNA Synthesis Isoforms
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Biological Activity
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DNA Polymerase |
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HCC1937 | IC50 |
20.9 μM
Compound: 25d
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Antiproliferative activity against BRCA1-deficient human HCC1937 cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
Antiproliferative activity against BRCA1-deficient human HCC1937 cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
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[PMID: 38375763] |
| HCT-116 | IC50 |
8.9 μM
Compound: 25d
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Antiproliferative activity against BRCA2-deficient human HCT-116 cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
Antiproliferative activity against BRCA2-deficient human HCT-116 cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
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[PMID: 38375763] |
| MCF-10A | IC50 |
>80 μM
Compound: 25d
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Antiproliferative activity against human MCF-10A cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
Antiproliferative activity against human MCF-10A cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
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[PMID: 38375763] |
| MDA-MB-436 | IC50 |
2.7 μM
Compound: 25d
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Antiproliferative activity against BRCA1-deficient human MDA-MB-436 cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
Antiproliferative activity against BRCA1-deficient human MDA-MB-436 cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
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[PMID: 38375763] |
| SK-OV-3 | IC50 |
18.9 μM
Compound: 25d
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Antiproliferative activity against BRCA-proficient human SK-OV-3 cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
Antiproliferative activity against BRCA-proficient human SK-OV-3 cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
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[PMID: 38375763] |
| SW48 | IC50 |
2.9 μM
Compound: 25d
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Antiproliferative activity against BRCA2-deficient human SW48 cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
Antiproliferative activity against BRCA2-deficient human SW48 cells assessed as inhibition of cell proliferation incubated for 5 days by MTT assay
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[PMID: 38375763] |
Polθ/PARP-IN-1 (compound 25d) (0-80 µM; 3 days) shows antiproliferative activity with IC50s of 20.9, 2.7, 8.9, 2.9, 18.9, >80 µM for HCC1937, MDA-MB-436, HCT116, SW48, SKOV-3, MCF-10A cells, respectively[1].
Polθ/PARP-IN-1 (compound 25d) (2 µM; 3 days) induces apoptosis and cell cycle arrest at G2/M phase, causes DNA damage[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:HCC1937, MDA-MB-436, HCT116, SW48, SKOV-3, MCF-10A cells
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Concentration:0-80 µM
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Incubation Time:5 days
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Result:Showed antiproliferative activity with IC50s of 20.9, 2.7, 8.9, 2.9, 18.9, >80 µM for HCC1937, MDA-MB-436, HCT116, SW48, SKOV-3, MCF-10A cells, respectively.
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Cell Line:MDA-MB-436 cells
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Concentration:2 µM
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Incubation Time:3 days
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Result:Induced apoptosis with a higher apoptosis rate (26.7%) and arrested cell cycle progression at the G2/M phase.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:18-20 g, Six-week-old female BALB/C nude mice (MDA-MB-436 xenograft model)[1]
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Dosage:20, 40 mg/kg
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Administration:I.p.; daily for 21 consecutive days
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Result:Significantly inhibited the growth of MDA-MB-436 xenografts in a dose-dependent manner, exerted an optimal inhibitory potency with a tumor growth inhibition (TGI) rate of 54.4%, 74.7% at 20, 40 mg/kg, respectively.
Chemical Information
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CAS No. 3056709-95-3
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Appearance Solid
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Molecular Weight 754.23
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Formula C38H33ClFN7O5S
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Color White to off-white
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SMILES
COC1=CC=C(C=C1C2=CC(C)=NC=C2C(NC3=NN=C(S3)OCC4CCN(CC4)C(C5=C(C=CC(CC6=NNC(C7=C6C=CC=C7)=O)=C5)F)=O)=O)Cl
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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
DMSO : 50 mg/mL (66.29 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)
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 (3.31 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.
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.
Purity & Documentation
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Data Sheet (274 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 | 1.3259 mL | 6.6293 mL | 13.2586 mL | 33.1464 mL |
| 5 mM | 0.2652 mL | 1.3259 mL | 2.6517 mL | 6.6293 mL | |
| 10 mM | 0.1326 mL | 0.6629 mL | 1.3259 mL | 3.3146 mL | |
| 15 mM | 0.0884 mL | 0.4420 mL | 0.8839 mL | 2.2098 mL | |
| 20 mM | 0.0663 mL | 0.3315 mL | 0.6629 mL | 1.6573 mL | |
| 25 mM | 0.0530 mL | 0.2652 mL | 0.5303 mL | 1.3259 mL | |
| 30 mM | 0.0442 mL | 0.2210 mL | 0.4420 mL | 1.1049 mL | |
| 40 mM | 0.0331 mL | 0.1657 mL | 0.3315 mL | 0.8287 mL | |
| 50 mM | 0.0265 mL | 0.1326 mL | 0.2652 mL | 0.6629 mL | |
| 60 mM | 0.0221 mL | 0.1105 mL | 0.2210 mL | 0.5524 mL |
Polθ/PARP-IN-1 Related Classifications
HY-161302 Related Classifications
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