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PFI-3 Epigenetic Reader Domain inhibitor

Cat.No.S7315

PFI-3 is a selective chemical probe for SMARCA bromodomains, including SMARCA2, SMARCA4 and PB1(5) bromodomains.

Chemical Structure

Molecular Weight: 321.37

Jump to Mechanism of Action Cell Culture & Working Concentration Solubility Chemical Information, Storage & Stability Specificity

Quality Control

Batch: Purity: 99.87%

99.87

Related Targets	HDAC JAK Histone Methyltransferase AMPK PKC PARP HIF Histone Acetyltransferase Aurora Kinase Sirtuin PRMT Histone Demethylase EZH1/2 DNA Methyltransferase Pim LSD1 MLL JMJD G9a/GLP NSD FTO MicroRNA PAD SETD SMYD DOT1 COMT WDR5 HNMT SAM MTase
Related Products	Birabresib (OTX015) I-BET151 (GSK1210151A) Molibresib (I-BET-762) SGC-CBP30 EED226 Apabetalone (RVX-208) KG-501 CPI-203 compound 3i (666-15) AZD5153 6-hydroxy-2-naphthoic acid PFI-1 (PF-6405761) Mivebresib (ABBV-075) ABBV-744 UNC1215 I-BRD9 Bromosporine PLX51107 GSK1324726A (I-BET726) Pelabresib (CPI-0610) PF-CBP1 HCl INCB054329 MS436 GSK2801 UNC669 MZ-1 NEO2734 (EP31670) OF-1 CPI-637 GSK6853 I-CBP112

Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Concentration	Activity Description	PMID
BL21(DE3)-R3-pRARE2	Function assay		Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorimetry, Kd=0.048μM	27119626
BL21(DE3)-R3-pRARE2	Function assay		Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorimetry, Kd=0.089μM	27119626
BL21 (DE3)-R3-BirA	Function assay		Binding affinity to human PB1 isoform 5 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry, Kd<0.1μM	27115555
BL21 (DE3)-R3-BirA	Function assay		Binding affinity to human SMARCA4 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry, Kd<0.1μM	27115555
C2C12	Function assay	500 nM to 50 uM	Inhibition of differentiation in mouse C2C12 cells assessed as shortening of myotubes with lower nuclei at 500 nM to 50 uM by HRP-peroxidase-based immunocytochemistry relative to control	27115555
C2C12	Function assay	1 uM	Inhibition of differentiation in mouse C2C12 cells assessed as suppression of MyHC expression at 1 uM by HRP-peroxidase-based immunocytochemistry	27115555
C3H10T1/2	Function assay	1 uM	Inhibition of differentiation of mouse C3H10T1/2 cells to adipocytes assessed as lipid accumulation at 1 uM by oil red O staining-based assay	27115555
C3H10T1/2	Function assay	20 uM	Inhibition of differentiation of mouse C3H10T1/2 cells to adipocytes assessed as lipid accumulation at 20 uM by oil red O staining-based assay	27115555
Click to View More Cell Line Experimental Data

Chemical Information, Storage & Stability

Molecular Weight	321.37	Formula	C₁₉H₁₉N₃O₂	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	1819363-80-8	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	N/A			Smiles	C1C2CN(C1CN2C3=CC=CC=N3)C=CC(=O)C4=CC=CC=C4O

Solubility

In vitro
Batch:

DMSO : 64 mg/mL (199.14 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.
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.	3.850mg/ml (11.98mM)	Taking the 1 mL working solution as an example, add 50 μL of 77 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.	0.380mg/ml (1.18mM)	Taking the 1 mL working solution as an example, add 50 μL of 7.6 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.
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.

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	PB1(5) bromodomains ^[1] SMARCA4 ^[4] (Cell-free assay) 55 nM(Kd) SMARCA2B ^[4] (Cell-free assay) 72 nM(Kd) SMARCA2A ^[4] (Cell-free assay) 110 nM(Kd)
In vitro	PFI-3 shows a significant selectivity for PB1(5) and SMARCA2/4 over 36 other tested kinases^[1]. This compound is a potent and cell active protein interaction inhibitor that selectively binds to essential BAF bromodomains. It is screened in a commercial screening panel comprising 102 cellular receptors as well as 30 enzyme assays, revealing only interactions against four GPCRs with micromolar affinity and no significant additional interactions outside the BRD family, confirming its excellent broader pharmacological selectivity. Stability measurements confirmed that this chemical has a half-life in aqueous solutions exceeding 7 days at 37°C. In long-term experiments, it significantly altered gene expression programs that are important for differentiation of stem cells. This compound mimics the effect of Brg1 deletion, resulting in an increase of the repressive H3K27me3 mark at the TSSs and Stat3 binding sites of these genes^[2]. It has a half-life of >250 h in PBS, pH 7.4, at 20 °C^[3].
References	[1] http://www.thesgc.org/chemical-probes/PFI-3 [2] https://pubmed.ncbi.nlm.nih.gov/26702435/ [3] https://pubmed.ncbi.nlm.nih.gov/27115555/ [4] https://pubmed.ncbi.nlm.nih.gov/26139243/

Applications

Methods	Biomarkers	Images	PMID
Immunofluorescence	SMARCA2 BRD		26139243

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