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PF-3644022 inhibitor

Name: PF-3644022
Brand: Selleck Chemicals
SKU: S8224
Availability: InStock
Rating: 5 (1 reviews)

Cat.No.S8224

PF-3644022 is a potent freely reversible ATP-competitive inhibitor of MAPKAPK2 (MK2) with an Ki of 3 nM. This compound also potently inhibits TNFα production with an IC50 of 160 nM.

Chemical Structure

Molecular Weight: 374.46

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Quality Control

Batch: S822401 DMSO]75 mg/mL]false]Water]Insoluble]false]Ethanol]Insoluble]false Purity: 99.95%

Cited in Nature Medicine for its top-tier quality
COA
NMR
SDS
Datasheet

99.95

Related Targets	ERK p38 MAPK Raf JNK MEK Ras KRas S6 Kinase MAP4K TAK1
Other Inhibitors	Concanamycin A YAP-TEAD Inhibitor 1 (Peptide 17) L-Buthionine-(S,R)-sulfoximine (L-BSO) ISX-9 (Isoxazole 9) WAY-641966 WAY-320461 Vaborbactam Maribavir C16-PAF Cyclo(-RGDfK)

Solubility

In vitro
Batch:

DMSO : 75 mg/mL (200.28 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Ethanol : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection 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.
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.	0.625mg/ml (1.67mM)	Taking the 1 mL working solution as an example, add 50 μL of 12.5 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.	0.125mg/ml (0.33mM)	Taking the 1 mL working solution as an example, add 50 μL of 2.5 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

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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.

Chemical Information, Storage & Stability

Molecular Weight	374.46	Formula	C₂₁H₁₈N₄OS	Storage (From the date of receipt)	3 years -20°C powder
CAS No.	1276121-88-0	--		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	N/A			Smiles	CC1CNC2=C(SC3=C2C4=C(C=C3)N=C(C=C4)C5=CN=C(C)C=C5)C(=O)N1

Mechanism of Action

Targets/IC₅₀/Ki	MK2 3 nM(Ki) TNFα 160 nM
In vitro	PF-3644022 is a potent freely reversible ATP-competitive compound that inhibits Mitogen-activated protein kinase-activated protein kinase 2(MK2) activity with good selectivity when profiled against 200 human kinases. In the human U937 monocytic cell line or peripheral blood mononuclear cells, this compound potently inhibits TNFα production with similar activity. It blocks TNFα and IL-6 production in LPS-stimulated human whole blood.<sup><a class="sref" href="#s_ref">[1]</a></sup>
Kinase Assay	In Vitro Kinase Assays and Inhibition Kinetics.
Kinase Assay	The kinase activity of MK2 is assayed by using fluorescently labeled heat shock protein 27 (HSP27) peptide and a Caliper LabChip 3000. Phosphorylated peptide is separated from substrate peptide electrophoretically and quantified. All kinase reactions are performed at room temperature in 20 mM HEPES, containing 10 mM MgCl2, 1 mM dithiothreitol, 0.01% bovine serum albumin, and 0.0005% Tween 20, pH 7.5. For endpoint experiments, reactions are terminated during the linear phase by the addition of 30 mM EDTA. The kinase selectivity experiments are performed with the MgATP concentration fixed at the Km(app) determined for each enzyme. The initial velocitie is determined in the presence and absence of this compound with ATP as the varied substrate while the HSP27 peptide concentration is held constant.
In vivo	PF-3644022 displays good pharmacokinetic parameters in rats and is orally efficacious in both the rat acute LPS-induced TNFα model and the chronic streptococcal cell wall-induced arthritis model,with ED50 values of 6.9 and 20 mg/kg, respectively.<sup><a class="sref" href="#s_ref">[1]</a></sup>
References	[1] https://pubmed.ncbi.nlm.nih.gov/20237073/

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