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VS-4718 (PND-1186) FAK inhibitor

Name: VS-4718 (PND-1186)
SKU: S7653
Availability: InStock
Rating: 5 (45 reviews)

Cat.No.S7653

VS-4718 (PND-1186) is a reversible and selective FAK inhibitor with IC50 of 1.5 nM, which selectively promotes tumor cell apoptosis. Phase 1.

Chemical Structure

Molecular Weight: 501.5

Jump to Mechanism of Action Solubility Chemical Information, Storage & Stability Specificity

Quality Control

Batch: Purity: 99.97%

99.97

Related Targets	EGFR VEGFR JAK PDGFR FGFR Src FLT3 HER2 Bcr-Abl HIF BTK ALK Syk VDA
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Chemical Information, Storage & Stability

Molecular Weight	501.5	Formula	C₂₅H₂₆F₃N₅O₃	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	1061353-68-1	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	SR-2156			Smiles	CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC

Solubility

In vitro
Batch:

DMSO : 100 mg/mL (199.4 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Ethanol : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	5mg/ml (9.97mM)	Taking the 1 mL working solution as an example, add 50 μL of 100 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Clear solution	5% DMSO 1 95% Corn oil Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	0.25mg/ml (0.50mM)	Taking the 1 mL working solution as an example, add 50 μL of 5 mg/ml clear DMSO stock solution to 950 μL of corn oil and mix evenly. The mixed solution should be used immediately for optimal results.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	5mg/ml (9.97mM)	Taking the 1 mL working solution as an example, add 50 μL of 100 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Clear solution	5% DMSO 1 95% Corn oil Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	0.25mg/ml (0.50mM)	Taking the 1 mL working solution as an example, add 50 μL of 5 mg/ml clear DMSO stock solution to 950 μL of corn oil and mix evenly. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Targets/IC₅₀/Ki	FAK ^[1] (Cell-free assay) 1.5 nM
In vitro	In vitro, VS-4718 (PND-1186) inhibits 4T1 breast carcinoma motility, promotes 4T1 apoptosis in suspended conditions, and decreases 4T1 soft agar colony number and size. ^[1] This compound also promotes G0-G1 cell-cycle arrest followed by cell death in HEY and OVCAR8 cells. ^[2]
Kinase Assay	In vitro kinase activity
Kinase Assay	VS-4718 (PND-1186) is evaluated by measuring GST-FAK in vitro kinase activity and comparing it to His-tagged FAK 411–686 using the K-LISA screening kit and poly(Glu:Tyr) (4:1) copolymer as a substrate immobilized on microtiter plates. IC50 values for this compound are determined with various concentrations in a buffer containing 50 µM ATP and 10 mM MnCl₂, 50 mM HEPES (pH 7.5), 25 mM NaCl, 0.01% BSA, and 0.1 mM Na orthovanadate for 5 min at room temperature. Serial diluted compounds are tested in triplicate. Substrate phosphorylation is measured using horseradish peroxidase-conjugated anti-pTyr antibodies with spetrophotometric color quantitation. IC50 values are determined using the Hill-Slope Model. Kinase selectivity profiling is performed by using the KinaseProfiler service.
In vivo	In mice bearing 4T1 tumors, VS-4718 (PND-1186) (100 mg/kg s.c.) inhibits subcutaneous tumor growth by induction of apoptosis. This compound (0.5 mg/mL for p.o.) also causes ovarian carcinoma tumor growth inhibition in mice bearing ID8 tumors. ^[1]
References	[1] https://pubmed.ncbi.nlm.nih.gov/20234191/ [2] https://pubmed.ncbi.nlm.nih.gov/24899686/

Applications

Methods	Biomarkers	PMID
Western blot	pY397 FAK / FAK / pY249 p130Cas / p130Cas / pY416 Src / Src β-catenin / Cyclin D1 / c-Myc	20234191
Immunofluorescence	STAT3	30728047
Growth inhibition assay	Cell viability	30425643

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT01849744	Terminated	Non Hematologic Cancers\|Metastatic Cancer	Verastem Inc.	June 2013	Phase 1
NCT02215629	Withdrawn	Relapsed or Refractory Acute Myeloid Leukemia\|Relapsed or Refractory B-Cell Acute Lymphoblastic Leukemia	Verastem Inc.		Phase 1

Tech Support

Handling Instructions

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Frequently Asked Questions

Question 1:
Whether the in vivo formulation of this compound using 2% DMSO+30% PEG 300+5% Tween 80+ddH2O is suitable for injection?

Answer:
A clear solution with the highest concentration at 5 mg/ml can be generated using the formulation: 2% DMSO + 30% PEG 300 + 5% Tween 80 + ddH₂O. It may be suitable for oral administration or injection.

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