Cat. No.: HY-133124

PARP/PI3K-IN-1

Customer Review

Based on 1 Customer Validation

PARP/PI3K-IN-1 (compound 15) is a potent PARP/PI3K inhibitor with pIC₅₀ values of 8.22, 8.44, 8.25, 6.54, 8.13, 6.08 for PARP-1, PARP-2, PI3Kα, PI3Kβ, PI3Kδ, and PI3Kγ, respectively. PARP/PI3K-IN-1 is a highly effective anticancer compound targeted against a wide range of oncologic diseases.

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

Purity: 99.40%
CAS No.: 2337386-47-5
Formula: C₃₃H₂₈F₄N₈O₃
Molecular Weight:660.62

Storage:

Powder -20°C, 3 years ; In solvent -80°C, 6 months , -20°C, 1 month

PARP/PI3K-IN-1 Chemical Structure

CAS No.: 2337386-47-5

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Fluorescent Dye

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

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

Biological Activity

Description

IC₅₀ & Target^[1]

PARP-1

8.22 (pIC₅₀)

PARP-2

8.44 (pIC₅₀)

PI3Kα

8.25 (pIC₅₀)

PI3Kβ

6.54 (pIC₅₀)

PI3Kδ

8.13 (pIC₅₀)

PI3Kγ

6.08 (pIC₅₀)

All PARP Isoforms :

All PI3K Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
HCC1937	IC₅₀	0.504 μM Compound: 32	Inhibition of cell proliferation in human HCC1937 cells incubated for 72 hrs by SRB assay Inhibition of cell proliferation in human HCC1937 cells incubated for 72 hrs by SRB assay	[PMID: 35051747]
HCT-116	IC₅₀	0.775 μM Compound: 32	Inhibition of cell proliferation in human HCT-116 cells incubated for 72 hrs by SRB assay Inhibition of cell proliferation in human HCT-116 cells incubated for 72 hrs by SRB assay	[PMID: 35051747]
MDA-MB-231	IC₅₀	0.155 μM Compound: 32	Inhibition of cell proliferation in human MDA-MB-231 cells incubated for 72 hrs by SRB assay Inhibition of cell proliferation in human MDA-MB-231 cells incubated for 72 hrs by SRB assay	[PMID: 35051747]

In Vitro

PARP/PI3K-IN-1 (compound 15; 1 μM; 72 hours) leads to a significant increase in cell apoptosis^[1].
PARP/PI3K-IN-1 (1 μM; 72 hours) reduces the autophosphorylation levels of AKT and S6 while increases the autophosphorylation level of ERK after treating cells, indicating that it can inhibit the PI3K pathway and activate the ERK pathway^[1].
PARP/PI3K-IN-1 (1 μM) displays a strong capability to downregulate the expression of BRCA1/2 at the mRNA level in MDA-MB-468 cancer cells^[1].
PARP/PI3K-IN-1 not only shows significant inhibitory activity against BRCA-deficient cells HCC1937 and HCT116, but also displays potent anti-proliferative activity against BRCA-proficient cells MDA-MB-231 and MDA-MB-468^[1].

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

Apoptosis Analysis^[1]

Cell Line:

MDA-MB-468 cancer cells
Concentration:

1 μM
Incubation Time:

72 hours
Result:

Led to a significant increase in cell apoptosis.

Western Blot Analysis^[1]

Cell Line:

MDA-MB-468 cancer cells
Concentration:

1 μM
Incubation Time:

72 hours
Result:

Reduced the autophosphorylation levels of AKT and S6 while increased the autophosphorylation level of ERK after treating cells.

In Vivo

PARP/PI3K-IN-1 (i.p.; 50 mg/kg; twice daily (BID) for 34 consecutive days) significantly suppresses the tumor growth^[1].

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

Animal Model:

Six-week-old male BALB/c nude mice with MDA-MB-468 cells^[1]
Dosage:

50 mg/kg
Administration:

i.p.; twice daily (BID) for 34 consecutive days
Result:

Significantly suppressed the tumor growth.

Chemical Information

CAS No. 2337386-47-5
Appearance Solid
Molecular Weight 660.62
Formula C₃₃H₂₈F₄N₈O₃
Color White to off-white
SMILES

O=C1NN=C(CC2=CC=C(F)C(C(N3CCC4=C(N5CCOCC5)N=C(C6=C(C(F)(F)F)C=C(N)N=C6)N=C4C3)=O)=C2)C7=C1C=CC=C7
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (151.37 mM; Need ultrasonic; 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

1.5137 mL

7.5686 mL

15.1373 mL

5 mM

0.3027 mL

1.5137 mL

3.0275 mL

10 mM

0.1514 mL

0.7569 mL

1.5137 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. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator

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

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

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 (3.78 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.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: 2.5 mg/mL (3.78 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (3.78 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

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

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (274 KB)
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 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]. Wang J, et al.Discovery of Novel Dual Poly(ADP-ribose)polymerase and Phosphoinositide 3-Kinase Inhibitors as a Promising Strategy for Cancer Therapy.J Med Chem. 2020 Jan 9;63(1):122-139. [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

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	1.5137 mL	7.5686 mL	15.1373 mL	37.8432 mL
	5 mM	0.3027 mL	1.5137 mL	3.0275 mL	7.5686 mL
	10 mM	0.1514 mL	0.7569 mL	1.5137 mL	3.7843 mL
	15 mM	0.1009 mL	0.5046 mL	1.0092 mL	2.5229 mL
	20 mM	0.0757 mL	0.3784 mL	0.7569 mL	1.8922 mL
	25 mM	0.0605 mL	0.3027 mL	0.6055 mL	1.5137 mL
	30 mM	0.0505 mL	0.2523 mL	0.5046 mL	1.2614 mL
	40 mM	0.0378 mL	0.1892 mL	0.3784 mL	0.9461 mL
	50 mM	0.0303 mL	0.1514 mL	0.3027 mL	0.7569 mL
	60 mM	0.0252 mL	0.1261 mL	0.2523 mL	0.6307 mL
	80 mM	0.0189 mL	0.0946 mL	0.1892 mL	0.4730 mL
	100 mM	0.0151 mL	0.0757 mL	0.1514 mL	0.3784 mL

Keywords

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PARP/PI3K-IN-1

Apoptosis Compound Library

Cell Cycle/DNA Damage Compound Library

Epigenetics Compound Library

Kinase Inhibitor Library

PI3K/Akt/mTOR Compound Library

Stem Cell Signaling Compound Library

Anti-Cancer Compound Library

Autophagy Compound Library

Anti-Aging Compound Library

Differentiation Inducing Compound Library

Oxygen Sensing Compound Library

Glycolysis Compound Library

Cytoskeleton Compound Library

Anti-Breast Cancer Compound Library

Anti-Lung Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Anti-Cancer Metabolism Compound Library

Anti-Obesity Compound Library

Angiogenesis-Related Compound Library

Glucose Metabolism Compound Library

Anti-Liver Cancer Compound Library

Anti-Colorectal Cancer Compound Library

Anti-Prostate Cancer Compound Library

Anti-Pulmonary Fibrosis Compound Library

Cancer Stem Cells Compound Library

Heterocyclic Compound Library

Pain-Related Compound Library

Membrane Protein-targeted Compound Library

Cell Death Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Anti-Fibrosis Compound Library

Anti-Brain Cancer Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

Anti-Rheumatic Arthritis Compound Library

Posttranslational Modification Library

Lactylation Compound Library

All PARP Isoforms

All PI3K Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

PARP/PI3K-IN-1 Related Classifications

HY-133124 Related Classifications