Art. -Nr.: HY-149814

PDK-IN-1

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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.

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Reinheit: 99.74%
CAS. Nr.: 2897696-10-3
Formel: C₂₀H₁₆BrN₇O
Molecular Weight:450.29

Speicherung:

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)

PDK-IN-1 Chemical Structure

CAS. Nr.: 2897696-10-3

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

IC50: 0.03 ± 0.005 μM (PDK1); 0.1 μM (HSP90)^[1]

Alle HSP Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
BXPC-3	IC₅₀	0.1 μM Compound: 7o	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	[PMID: 36709650]
BXPC-3	IC₅₀	3.3 μM Compound: 7o	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	[PMID: 36709650]
PSN1	IC₅₀	1 μM Compound: 7o	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	[PMID: 36709650]
PSN1	IC₅₀	11.9 μM Compound: 7o	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	[PMID: 36709650]

In Vitro

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.

In Vivo

PDK-IN-1 (compound 7o) is slightly more effective than cisplatin (HY-17394) in reducing the tumor mass^[1].
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.

Animal Model:

LLC-bearing C57BL mice^[1]
Dosage:

20 mg/kg
Administration:

IP, daily, days 7-14
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

CAS. Nr. 2897696-10-3
Appearance Solid
Molecular Weight 450.29
Formel C₂₀H₁₆BrN₇O
Color Off-white to yellow
SMILES

BrC1=CC(C(C2=C(C3=CNC4=C3C=C(OC)C=C4)N=NC(N)=N2)=CN5C)=C5N=C1
Versand

Room temperature in continental US; may vary elsewhere.
Speicherung

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)

Lösungsmittel & Löslichkeit

In Vitro:

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)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.2208 mL

11.1040 mL

22.2079 mL

5 mM

0.4442 mL

2.2208 mL

4.4416 mL

10 mM

0.2221 mL

1.1104 mL

2.2208 mL

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.

Molaritätsrechner

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

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.

Protocol 1

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.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
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

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (276 KB)
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)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Pecoraro C, et al. 1,2,4-Amino-triazine derivatives as pyruvate dehydrogenase kinase inhibitors: Synthesis and pharmacological evaluation. Eur J Med Chem. 2023 Mar 5;249:115134. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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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PDK-IN-1

Cell Cycle/DNA Damage Compound Library

Kinase Inhibitor Library

Metabolism/Protease Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Glycolysis Compound Library

Cytoskeleton Compound Library

Anti-Cancer Metabolism Compound Library

Mitochondria-Targeted Compound Library

Glucose Metabolism Compound Library

Metabolic Enzyme Compound Library

TCA Cycle Compound Library

Extracellular Vesicles (EVs) Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Protein Kinase Compound Library

Lactic Acid Metabolic Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Alle HSP Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

PDK-IN-1

Cell Cycle/DNA Damage Compound Library

Kinase Inhibitor Library

Metabolism/Protease Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Glycolysis Compound Library

Cytoskeleton Compound Library

Anti-Cancer Metabolism Compound Library

Mitochondria-Targeted Compound Library

Glucose Metabolism Compound Library

Metabolic Enzyme Compound Library

TCA Cycle Compound Library

Extracellular Vesicles (EVs) Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Protein Kinase Compound Library

Lactic Acid Metabolic Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Alle HSP Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

PDK-IN-1 Related Classifications

HY-149814 Related Classifications