Art. -Nr.: HY-189384

PB1-3

PB1-3 is an orally active CDK4/CDK6 inhibitor with selective antiproliferative activity against 4T1 and MCF-7 breast cancer cells. PB1-3 directly binds to CDK4 and CDK6, downregulates total protein expression, reduces Rb phosphorylation, and induces G0/G1 phase arrest. PB1-3 induces ROS accumulation, mitochondrial membrane potential collapse, initiation of mitochondria-mediated intrinsic apoptosis, upregulation of the Bax/Bcl-2 ratio, and activation of cleaved caspase-3. PB1-3 inhibits tumor growth in a 4T1 orthotopic syngeneic mouse model. PB1-3 can be used for research related to triple-negative breast cancer.

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CAS. Nr.: 113062-58-1
Formel: C₂₀H₂₄O₄
Molecular Weight:328.40

Speicherung:

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

PB1-3 Chemical Structure

CAS. Nr.: 113062-58-1

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Use of MCE Products

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

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

Biologische Aktivität

Beschreibung

IC₅₀ & Target

^[1]

CDK4

CDK6

Bax

Bcl-2

Caspase 3

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Cellular Effect

Cell Line	Type	Value	Description	References
MCF7	IC50	3.13 μM	Antiproliferative activity against human MCF-7 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay. Antiproliferative activity against human MCF-7 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay.	42571741
4T1	IC50	4.28 μM	Antiproliferative activity against mouse 4T1 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay. Antiproliferative activity against mouse 4T1 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay.	42571741
HepG2	IC50	8.48 μM	Antiproliferative activity against human HepG2 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay. Antiproliferative activity against human HepG2 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay.	42571741
HeLa	IC50	9.18 μM	Antiproliferative activity against human HeLa cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay. Antiproliferative activity against human HeLa cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay.	42571741
HUVEC	IC50	69.96 μM	Antiproliferative activity against human HUVECs assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay. Antiproliferative activity against human HUVECs assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay.	42571741
HK-2	IC50	66.35 μM	Antiproliferative activity against human HK-2 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay. Antiproliferative activity against human HK-2 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay.	42571741
NIH3T3	IC50	187.86 μM	Antiproliferative activity against mouse NIH3T3 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay. Antiproliferative activity against mouse NIH3T3 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay.	42571741
H9c2	IC50	185.71 μM	Antiproliferative activity against rat H9c2 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay. Antiproliferative activity against rat H9c2 cells assessed as reduction in cell viability incubated for 24 hrs by CCK-8 assay.	42571741

In Vitro

Anti-cancerOthersOxidative StressMitochondrial FunctionApoptosisCell Cycle Regulation

Anti-cancer

PB1-3 (0-20 μM; 24 h) exhibits potent antiproliferative activity against MCF-7 and 4T1 breast cancer cell lines with high selectivity over normal cells, with IC₅₀ values of 3.13 μM and 4.28 μM, respectively^[1].
PB1-3 (2.5-10 μM; 0-24 h) effectively inhibits the migration of MCF-7 and 4T1 cells in a concentration-dependent manner^[1].
PB1-3 (1.25-20 μM; 48 h treatment, followed by 10-14 days of culture) effectively inhibits the clonogenic survival of MCF-7 and 4T1 cells in a dose-dependent manner^[1].

Others

PB1-3 stably binds CDK4 and CDK6 with high affinity and favorable binding free energy, forming stable complexes through hydrogen bonds and hydrophobic interactions^[1].
PB1-3 (2.5-10 μM; 24 h) modulates the CDK4/6-Rb pathway by downregulating total CDK4 and CDK6 protein levels and reducing Rb phosphorylation in MCF-7 and 4T1 cells^[1].

Oxidative Stress

Mitochondrial Function

Anti-cancer

PB1-3 (2.5-10 μM; 24 h) induces strong and concentration-dependent intracellular reactive oxygen species accumulation in MCF-7 and 4T1 cells; it induces mitochondrial dysfunction by collapsing the mitochondrial membrane potential in a concentration-dependent manner^[1].

Anti-cancer

Apoptosis

Cell Cycle Regulation

PB1-3 (2.5-10 μM; 24 h) induces apoptosis and G0/G1 cell cycle arrest in MCF-7 and 4T1 cells in a concentration-dependent manner; it activates the intrinsic apoptotic pathway in MCF-7 and 4T1 cells by increasing the Bax/Bcl-2 ratio and activating caspase-3^[1].

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

Cell Viability Assay^[1]

Cell Line:

MCF-7, 4T1, HepG2, HeLa, HUVECs, HK-2, NIH3T3, and H9c2
Concentration:

0, 0.3125, 0.625, 1.25, 2.5, 5, 10, and 20 μM
Incubation Time:

24 h
Result:

Exhibited the most potent antiproliferative activity toward MCF‑7 (IC₅₀ = 3.13 μM) and 4T1 (IC₅₀ = 4.28 μM) cells. Showed antiproliferative effects against HepG2 (IC₅₀ = 8.48 μM) and HeLa (IC₅₀ = 9.18 μM) tumour cells. Displayed much higher IC₅₀ values in normal cell lines: HUVECs at 69.96 μM, HK‑2 at 66.35 μM, NIH3T3 at 187.86 μM, and H9c2 at 185.71 μM.

Cell Migration Assay ^[1]

Cell Line:

MCF-7 and 4T1 cells
Concentration:

2.5, 5, 10 μM
Incubation Time:

0, 12, 24 h
Result:

Resulted in a significant, concentration-dependent inhibition of cell migration.
At a concentration of 10 μM, almost completely inhibited wound closure in both 4T1 and MCF-7 cells after 24 h.

Apoptosis Analysis^[1]

Cell Line:

4T1 and MCF-7 cells
Concentration:

2.5, 5, 10 μM
Incubation Time:

24 h
Result:

Induced a significant and concentration-dependent increase in the percentage of apoptotic cells.
At 10 μM, the total apoptosis rate reached 49.94% in 4T1 cells and 53.89% in MCF-7 cells.

Cell Cycle Analysis^[1]

Cell Line:

4T1 and MCF-7 cells
Concentration:

2.5, 5, 10 μM
Incubation Time:

24 h
Result:

Resulted in a significant and concentration-dependent accumulation of cells in the G0/G1 phase, with a concomitant decrease in the percentage of cells in the S and G2/M phases.

Western Blot Analysis^[1]

Cell Line:

4T1 and MCF-7 cells
Concentration:

2.5, 5, 10 μM
Incubation Time:

24 h
Result:

Led to a marked upregulation of Bax and a simultaneous downregulation of Bcl-2, resulting in a significant increase in the Bax/Bcl-2 ratio.
Consequently, the activation of cleaved caspase-3 was significantly increased in a dose-dependent manner.\nSignificantly downregulated the protein expression levels of CDK4 and CDK6 in both 4T1 and MCF-7 cells.
The phosphorylation of the retinoblastoma protein (p-Rb) was dramatically reduced.

Parmacokinetics

Species	Dose	Route	C_max	T_max	T_1/2	AUC_0-t	AUC_0-∞
Mice^[1]	20 mg/kg	p.o.	259.3 ng/mL	1 h	3.0 h	887.0 ng/mL·h	889.5 ng/mL·h

In Vivo

Anti-cancerApoptosisOthers

Anti-cancer

Apoptosis

PB1-3 (10-20 mg/kg; i.p.; once every two days; a total of 6 administrations) significantly inhibits tumor growth in the 4T1 orthotopic syngeneic mouse model, while exhibiting favorable biosafety with no obvious hepatotoxicity or nephrotoxicity^[1].

Others

PB1-3 (500-2000 mg/kg; p.o.; single administration) exhibits an oral LD₅₀ greater than 2000 mg/kg, shows no significant acute toxicity, and demonstrates a favorable safety profile^[1].

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

Animal Model:

Female BALB/c mice (6-8 weeks old, 20 g) were orthotopically injected with 4T1 cells (6 × 10⁶ cells/mL, 100-150 μL into mammary fat pad near the third pair of mammary glands per mouse)^[1]
Dosage:

10 mg/kg; 15 mg/kg; 20 mg/kg
Administration:

i.p.; every two days; total of 6 doses
Result:

Suppressed tumor growth in a dose-dependent manner.
Achieved a marked reduction in both tumor volume and tumor weight at 20 mg/kg.
Showed antitumor activity comparable to that of Cisplatin (HY-17394) at 15 mg/kg.
Induced no significant body weight loss in any treated group.
Resulted in no significant differences in serum ALT, AST, BUN, and CRE levels compared to the vehicle control group.
Showed no obvious pathological abnormalities, necrosis, or inflammatory infiltration in major organs.

Related Protocols :

Chemical Information

CAS. Nr. 113062-58-1
Molecular Weight 328.40
Formel C₂₀H₂₄O₄
SMILES

COC1=CC=C2C(OC/C=C(CC/C=C(C)/C)\C)=CC(OC2=C1)=O
Versand

Room temperature in continental US; may vary elsewhere.
Speicherung

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

Reinheit & Dokumentation

Handling Instructions (2659 KB)

Verweise

[1]. Pan X, et al. Prenylated 4-Hydroxycoumarin derivatives as inducers of CDK4/6-mediated cell cycle arrest: From design and synthesis to in vitro and in vivo evaluation of their anti-breast Cancer activity. Bioorganic chemistry. 2026 Oct 05;181:110344. [Content Brief]

Calculators

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)}

Help & FAQs

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PB1-3

Alle CDK Isoform-spezifische Produkte anzeigen

Alle Caspase Isoform-spezifische Produkte anzeigen

Alle Bcl-2 Family Isoform-spezifische Produkte anzeigen