Cat. No.: HY-100470

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NSC781406

2 Cited Publications

Customer Review

Based on 2 publication(s) in Google Scholar

NSC781406 is a highly potent PI3K and mTOR inhibitor with an IC₅₀ of 2 nM for PI3Kα.

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

Purity: 99.97%
CAS No.: 1676893-24-5
Formula: C₂₉H₂₇F₂N₅O₅S₂
Molecular Weight:627.68

Storage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year

NSC781406 Chemical Structure

CAS No.: 1676893-24-5

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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
Publications (2)
Solvent & Solubility
- In Vitro
- In Vivo
Protocol
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

NSC781406 is a highly potent PI3K and mTOR inhibitor with an IC₅₀ of 2 nM for PI3Kα.

IC₅₀ & Target^[1]

PI3Kα

2 nM (IC₅₀)

PI3Kγ

2.7 nM (IC₅₀)

PI3Kβ

9.4 nM (IC₅₀)

PI3Kδ

14 nM (IC₅₀)

mTOR

5.4 nM (IC₅₀)

All PI3K Isoforms :

All mTOR Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	1.78 μM Compound: 7k; NSC781406	Cytotoxicity against human A549 cells after 72 hrs by MTT assay Cytotoxicity against human A549 cells after 72 hrs by MTT assay	[PMID: 26819001]
BEL-7404 tumor cell line	IC₅₀	0.02 μM Compound: 7k; NSC781406	Cytotoxicity against human Bel7404 cells after 72 hrs by MTT assay Cytotoxicity against human Bel7404 cells after 72 hrs by MTT assay	[PMID: 26819001]
HCT-116	IC₅₀	0.93 μM Compound: 7k; NSC781406	Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay	[PMID: 26819001]
MDA-MB-231	IC₅₀	1.44 μM Compound: 7k; NSC781406	Cytotoxicity against human MDA-MB-231 cells after 72 hrs by MTT assay Cytotoxicity against human MDA-MB-231 cells after 72 hrs by MTT assay	[PMID: 26819001]

In Vitro

NSC781406 demonstrates potent PI3K inhibition (PI3Kα IC₅₀=2.0 nM) that translates into BEL-7404 cells proliferation inhibition (IC₅₀=20 nM). NSC781406 displays reasonable liver microsome stability. NSC781406 demonstrates cytotoxic activities against leukemia, non-small cell, lung cancer, colon cancer, central nervous system cancer, melanoma, ovarian cancer, renal cancer, prostate cancer, and breast cancer. It is potent against 60 cancer cell lines with a mean GI₅₀ value of 65 nM, and with a GI50 value less than 10 nM against four cancer cell lines^[1].

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

In Vivo

In the xenograft models, treatment with 30 mg/kg of NSC781406 results in statistically significant antitumor activity, with a mean reduction in relative tumor volume ratio of 52%. Sorafenib displays an inhibition ratio of 44% at 50 mg/kg. NSC781406 is well tolerated at 30 mg/kg, with no observed mortality or significant reduction of body weight^[1].

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

Chemical Information

CAS No. 1676893-24-5
Appearance Solid
Molecular Weight 627.68
Formula C₂₉H₂₇F₂N₅O₅S₂
Color White to off-white
SMILES

FC1=CC(F)=CC=C1S(=O)(NC2=CC(C3=CC=C(N=CC=C4C#CCN5CCN(S(C)(=O)=O)CC5)C4=C3)=CN=C2OC)=O
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Publications (2)

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Mol Med

G protein-coupled estrogen receptor activates PI3K/AKT/mTOR signaling to suppress ferroptosis via SREBP1/SCD1-mediated lipogenesis. [Abstract]

2024 Feb 21;30(1):28. PMID: 38383297
Front Pharmacol

CC-223, NSC781406, and BGT226 Exerts a Cytotoxic Effect Against Pancreatic Cancer Cells via mTOR Signaling. [Abstract]

2020 Nov 11;11:580407. PMID: 33343350

Solvent & Solubility

In Vitro:

DMSO : 150 mg/mL (238.98 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

1.5932 mL

7.9658 mL

15.9317 mL

5 mM

0.3186 mL

1.5932 mL

3.1863 mL

10 mM

0.1593 mL

0.7966 mL

1.5932 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, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

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: 3.75 mg/mL (5.97 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 3.75 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 (37.5 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% Corn Oil

Solubility: ≥ 3.75 mg/mL (5.97 mM); Clear solution

This protocol yields a clear solution of ≥ 3.75 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 (37.5 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

Protocol

Kinase Assay^[1]

IC₅₀ values for inhibition of the PI3K is measured. PI-103 is used as the reference compound. The compounds (NSC781406) are tested in duplicate for 10 concentrations, 100 nM or 500 nM as the top concentration. All reagents are diluted in kinase buffer.Three-fold, ten-point serial compound (NSC781406) dilutions are performed in kinase buffer^[1].

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

Cell Assay^[1]

Cytotoxic effects are tested in the human lung adenocarcinoma cells A549, human colon cancer cells HCT-116, human breast cancer cells MDA-MB-231 and human hepatocellular carcinoma cells BEL-7404. These four tumor cells are diluted to a density of 40,000–50,000 cells/mL in logarithmic phase. After the cells are treated with compounds (NSC781406) for 72 h, MTT solution (5 mg/mL, 20 μL) is added another 4h at 37°C. IC₅₀ values are determined by a nonlinear regression analysis^[1].

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

Animal Administration^[1]

Mice: NSC781406 is orally administered once a day 30 mg/kg for 14 consecutive days or with sorafenib at 50 mg/kg. The relative tumor volume to vehicle-treated control mice is monitored^[1].

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

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (278 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)

References

[1]. Chen Y, et al. Discovery of benzenesulfonamide derivatives as potent PI3K/mTOR dual inhibitors with in vivo efficacies against hepatocellular carcinoma. Bioorg Med Chem. 2016 Mar 1;24(5):957-66. [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, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	1.5932 mL	7.9658 mL	15.9317 mL	39.8292 mL
	5 mM	0.3186 mL	1.5932 mL	3.1863 mL	7.9658 mL
	10 mM	0.1593 mL	0.7966 mL	1.5932 mL	3.9829 mL
	15 mM	0.1062 mL	0.5311 mL	1.0621 mL	2.6553 mL
	20 mM	0.0797 mL	0.3983 mL	0.7966 mL	1.9915 mL
	25 mM	0.0637 mL	0.3186 mL	0.6373 mL	1.5932 mL
	30 mM	0.0531 mL	0.2655 mL	0.5311 mL	1.3276 mL
	40 mM	0.0398 mL	0.1991 mL	0.3983 mL	0.9957 mL
	50 mM	0.0319 mL	0.1593 mL	0.3186 mL	0.7966 mL
	60 mM	0.0266 mL	0.1328 mL	0.2655 mL	0.6638 mL
	80 mM	0.0199 mL	0.0996 mL	0.1991 mL	0.4979 mL
	100 mM	0.0159 mL	0.0797 mL	0.1593 mL	0.3983 mL

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NSC781406

Kinase Inhibitor Library

PI3K/Akt/mTOR Compound Library

Stem Cell Signaling Compound Library

Anti-Cancer Compound Library

Autophagy Compound Library

Anti-Aging Compound Library

Antioxidant Compound Library

Differentiation Inducing Compound Library

Reprogramming 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

Mitochondrial Protection Compound Library

Membrane Protein-targeted Compound Library

Serine/Threonine Kinase Inhibitor Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Multi-Target Compound Library

Radioprotector Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Anti-Gastric Cancer Compound Library

Anti-Fibrosis Compound Library

Anti-Brain Cancer Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

Anti-Rheumatic Arthritis Compound Library

Posttranslational Modification Library

Lactylation Compound Library

Alkyne Compound Library

Publications Citing Use of MedChemExpress (MCE) NSC781406

All PI3K Isoforms

All mTOR Isoforms

Biological Activity

Chemical Information

Publications (2)

Solvent & Solubility

Protocol

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

NSC781406 Related Classifications

HY-100470 Related Classifications