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Cat. No.: HY-149275

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PKM2/PDK1-IN-1

PKM2/PDK1-IN-1, one of shikonin thioether derivatives, is a dual inhibitor of PKM2/PDK1. PKM2/PDK1-IN-1 inhibits the proliferation of NSCLC cells, and induces apoptosis. PKM2/PDK1-IN-1 induces intercellular ROS production, and regulates the apoptotic proteins, to involves in mitochondrial and death receptor pathway.

For research use only. We do not sell to patients.

CAS No.: 3041957-90-5
Formula: C₃₆H₄₃NO₇S₃
Molecular Weight:697.92

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (273 KB)

PKM2/PDK1-IN-1 Chemical Structure

CAS No.: 3041957-90-5

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Antibody-Drug Conjugates

One-stop solution for XDC (ADC/PDC/RDC/ApDC/FDC/ISAC/VDC/SMDC)

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target

PKM2, PDK-1^[1]

All Akt Isoforms :

All EGFR Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	6.26 μM Compound: E5	Antiproliferative activity against human A549 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay Antiproliferative activity against human A549 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay	[PMID: 36731272]
HCC827	IC₅₀	13 μM Compound: E5	Antiproliferative activity against siRNA mediated PKM2 knockdown human HCC827 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay Antiproliferative activity against siRNA mediated PKM2 knockdown human HCC827 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay	[PMID: 36731272]
HCC827	IC₅₀	5.19 μM Compound: E5	Antiproliferative activity against human HCC827 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay Antiproliferative activity against human HCC827 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay	[PMID: 36731272]
HCC827	IC₅₀	6 μM Compound: E5	Antiproliferative activity against human HCC827 cells transfected with siRNA assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay Antiproliferative activity against human HCC827 cells transfected with siRNA assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay	[PMID: 36731272]
HEK-293T	IC₅₀	99.46 μM Compound: E5	Cytotoxicity against HEK293T cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay Cytotoxicity against HEK293T cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay	[PMID: 36731272]
NCI-H1299	IC₅₀	5.48 μM Compound: E5	Antiproliferative activity against human NCI-H1299 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay Antiproliferative activity against human NCI-H1299 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay	[PMID: 36731272]
NCI-H1975	IC₅₀	1.51 μM Compound: E5	Antiproliferative activity against human NCI-H1975 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay Antiproliferative activity against human NCI-H1975 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay	[PMID: 36731272]
NCI-H1975	IC₅₀	3.5 μM Compound: E5	Antiproliferative activity against human NCI-H1975 cells transfected with siRNA assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay Antiproliferative activity against human NCI-H1975 cells transfected with siRNA assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay	[PMID: 36731272]
NCI-H1975	IC₅₀	8 μM Compound: E5	Antiproliferative activity against siRNA mediated PKM2 knockdown human NCI-H1975 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay Antiproliferative activity against siRNA mediated PKM2 knockdown human NCI-H1975 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay	[PMID: 36731272]
NCI-H1975	IC₅₀	9 μM Compound: E5	Antiproliferative activity against siRNA mediated PKD1 knockdown human NCI-H1975 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay Antiproliferative activity against siRNA mediated PKD1 knockdown human NCI-H1975 cells assessed as inhibition of cell growth incubated for 24 hrs by CCK-8 assay	[PMID: 36731272]

In Vitro

PKM2/PDK1-IN-1 (compound E5) (0.5-4 μM; 24 h) shows a synergistic anticancer effects with Gefitinib (HY-50895)^[1].
PKM2/PDK1-IN-1 (0.5 μM; 24 h) regulates the apoptotic proteins of both mitochondrial and death receptor pathway^[1].
PKM2/PDK1-IN-1 (0.5 μM, 1 μM; 24 h) causes the mitochondria transmembrane potential (ΔΨm) dissipation and intracellular ROS accumulation in lung cancer cells^[1].
PKM2/PDK1-IN-1 (1 μM, 2 μM; 24 h) inhibits PDK1 and enhances the downstream PDH activity in H1975 cells^[1].
PKM2/PDK1-IN-1 inhibits intracellular NADPH concentration and increases ATP production of H1975 cells^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Viability Assay^[1]

Cell Line:

H1975 cells
Concentration:

0.5 μM, 1 μM, 2 μM, 4 μM24 h; with 2.5-20 μM Gefitinib
Incubation Time:

24 h
Result:

Synergistically induced cell apoptosis.

Western Blot Analysis^[1]

Cell Line:

H1975 cells
Concentration:

0.5 μM
Incubation Time:

24 h; with 10 μM Gefitinib
Result:

Increased the protein levels of Cleaved Caspase-9, -3, and Cytochrome c. Deceased the protein levels of p-AKT, p-EGFR, Bcl-2.

In Vivo

PKM2/PDK1-IN-1 (compound E5) (2.4 mg/kg, 4.8 mg/kg; 6 times in 2 days) suppress the growth of H1975 xenograft tumor in nude mice in vivo with low toxic side effects^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

Nude mice with H1975 xenograft tumor (6-week-old)^[1]
Dosage:

4.8 mg/kg; dispersed in 20% DMSO
Administration:

IP; every two days for a total of 6 times, for 11 days
Result:

Inhibited tumor growth.

Animal Model:

For acute toxicity in ICR mice (8-week-old)^[1]
Dosage:

2.4, 4.8, 9.6, 19.2, 38.4 mg/kg; dissolved in 20% DMSO
Administration:

IP; singel dose; observed for 14 days
Result:

Exhibited little side effect in mice.

Chemical Information

CAS No. 3041957-90-5
Molecular Weight 697.92
Formula C₃₆H₄₃NO₇S₃
SMILES

COC([C@@H](NC(CCCC[C@@H]1CCSC(S1)C2=C(C=CC=C2)C)=O)CS[C@@H](C3=CC(C4=C(C=CC(O)=C4C3=O)O)=O)C/C=C(C)\C)=O
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (273 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)

References

[1]. Lin H, et al. PKM2/PDK1 dual-targeted shikonin derivatives restore the sensitivity of EGFR-mutated NSCLC cells to gefitinib by remodeling glucose metabolism. Eur J Med Chem. 2023 Mar 5;249:115166. [Content Brief]

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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.

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Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References

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PKM2/PDK1-IN-1

All Akt Isoforms

All EGFR Isoforms

Biological Activity

Chemical Information

Purity & Documentation

References

Calculators

Help & FAQs

PKM2/PDK1-IN-1 Related Classifications

HY-149275 Related Classifications