PDK-IN-1
Based on 1 Customer Validation
PDK-IN-1 (compound 7o) is a pyruvate dehydrogenase kinase (PDK) inhibitor. PDK-IN-1 shows IC50 values of 0.03 and 0.1 μM for PDK1 and HSP90, respectively. PDK-IN-1 targets PDH/PDK axis thus reducing efficiently the tumor mass.
For research use only. We do not sell to patients.
- Purity: 99.74%
- CAS No.: 2897696-10-3
- Formula: C20H16BrN7O
- Molecular Weight:450.29
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Storage:
4°C, sealed storage, away from moisture and light
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)
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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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Cell Cycle/DNA Damage Compound Library
HY-L004
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Kinase Inhibitor Library
HY-L009
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Metabolism/Protease Compound Library
HY-L012
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Anti-Cancer Compound Library
HY-L025
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Anti-Aging Compound Library
HY-L034
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Glycolysis Compound Library
HY-L058
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Cytoskeleton Compound Library
HY-L060
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Anti-Cancer Metabolism Compound Library
HY-L083
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Mitochondria-Targeted Compound Library
HY-L089
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Glucose Metabolism Compound Library
HY-L092
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Metabolic Enzyme Compound Library
HY-L146
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TCA Cycle Compound Library
HY-L148
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Extracellular Vesicles (EVs) Compound Library
HY-L168
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Multi-Target Compound Library
HY-L176
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Bioactive Compound Library Max
HY-L181
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MCE Bioactive Compound Library
HY-L001V
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Bioactive Compound Library
HY-L001
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Protein Kinase Compound Library
HY-L196
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Lactic Acid Metabolic Compound Library
HY-L204
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High-Throughput Bioactive Compound Library
HY-L205
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Posttranslational Modification Library
HY-L226
Biological Activity
IC50: 0.03 ± 0.005 μM (PDK1); 0.1 μM (HSP90)[1]
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| BXPC-3 | IC50 |
0.1 μM
Compound: 7o
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Antiproliferative activity against human BXPC-3 cells expressing wild type KRAS cultured as 2D spheroids assessed as inhibition of cell growth measured after 72 hrs by MTT assay
Antiproliferative activity against human BXPC-3 cells expressing wild type KRAS cultured as 2D spheroids assessed as inhibition of cell growth measured after 72 hrs by MTT assay
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[PMID: 36709650] |
| BXPC-3 | IC50 |
3.3 μM
Compound: 7o
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Antiproliferative activity against human BXPC-3 cells expressing wild type KRAS cultured as 3D spheroids assessed as inhibition of cell growth measured after 72 hrs by MTT assay
Antiproliferative activity against human BXPC-3 cells expressing wild type KRAS cultured as 3D spheroids assessed as inhibition of cell growth measured after 72 hrs by MTT assay
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[PMID: 36709650] |
| PSN1 | IC50 |
1 μM
Compound: 7o
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Antiproliferative activity against human PSN1 cells expressing KRAS mutant cultured as 2D spheroids assessed as inhibition of cell growth measured after 72 hrs by MTT assay
Antiproliferative activity against human PSN1 cells expressing KRAS mutant cultured as 2D spheroids assessed as inhibition of cell growth measured after 72 hrs by MTT assay
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[PMID: 36709650] |
| PSN1 | IC50 |
11.9 μM
Compound: 7o
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Antiproliferative activity against human PSN1 cells expressing KRAS mutant cultured as 3D spheroids assessed as inhibition of cell growth measured after 72 hrs by MTT assay
Antiproliferative activity against human PSN1 cells expressing KRAS mutant cultured as 3D spheroids assessed as inhibition of cell growth measured after 72 hrs by MTT assay
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[PMID: 36709650] |
PDK-IN-1 (compound 7o) shows 2D cytotoxic activity against PSN-1 and BxPC-3 pancreatic cell lines, with IC50 values of 0.1 ± 0.04 and 1.0 ± 0.2 μM, respectively. PDK-IN-1 also shows 3D cytotoxic activity, with IC50 values of 3.3 ± 0.2 and 11.9 ± 1.1 μM, respectively[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
PDK-IN-1 intensely reduces PDH phosphorylation in Lewis Lung Carcinoma (LLC)-bearing mice[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:LLC-bearing C57BL mice[1]
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Dosage:20 mg/kg
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Administration:IP, daily, days 7-14
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Result:Reduced more tumor mass than cisplatin (HY-17394) (tumor inhibition by 86 and 84% for compound 7o and cisplatin, respectively). Induced a body weight loss much lower than that induced by cisplatin (HY-17394) and gemcitabine (HY-17026).
Chemical Information
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CAS No. 2897696-10-3
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Appearance Solid
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Molecular Weight 450.29
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Formula C20H16BrN7O
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Color Off-white to yellow
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SMILES
BrC1=CC(C(C2=C(C3=CNC4=C3C=C(OC)C=C4)N=NC(N)=N2)=CN5C)=C5N=C1
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
4°C, sealed storage, away from moisture and light
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)
Solvent & Solubility
DMSO : 25 mg/mL (55.52 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 (sealed storage, away from moisture and light). 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 (sealed storage, away from moisture and light). 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 (5.55 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. * In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)
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 (276 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 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 (sealed storage, away from moisture and light). 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 | 2.2208 mL | 11.1040 mL | 22.2079 mL | 55.5198 mL |
| 5 mM | 0.4442 mL | 2.2208 mL | 4.4416 mL | 11.1040 mL | |
| 10 mM | 0.2221 mL | 1.1104 mL | 2.2208 mL | 5.5520 mL | |
| 15 mM | 0.1481 mL | 0.7403 mL | 1.4805 mL | 3.7013 mL | |
| 20 mM | 0.1110 mL | 0.5552 mL | 1.1104 mL | 2.7760 mL | |
| 25 mM | 0.0888 mL | 0.4442 mL | 0.8883 mL | 2.2208 mL | |
| 30 mM | 0.0740 mL | 0.3701 mL | 0.7403 mL | 1.8507 mL | |
| 40 mM | 0.0555 mL | 0.2776 mL | 0.5552 mL | 1.3880 mL | |
| 50 mM | 0.0444 mL | 0.2221 mL | 0.4442 mL | 1.1104 mL |
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