PF-431396

Alias: PF 431396; PF431396; PF-431396;
Cat No.:V0661 Purity: ≥98%
PF-431396 (PF431396) is a pyrimidine-based and selectivedual inhibitor of PYK2 and FAK (focal adhesion kinase and proline-rich tyrosine kinase 2) with potential anti-osteoporoticactivity.
PF-431396 Chemical Structure CAS No.: 717906-29-1
Product category: FAK
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

PF-431396 (PF431396) is a pyrimidine-based and selective dual inhibitor of PYK2 and FAK (focal adhesion kinase and proline-rich tyrosine kinase 2) with potential anti-osteoporotic activity. It inhibits PYK2/FAK with IC50s of 11 nM and 2 nM, respectively. PF 431396 acts by promoting osteoblast recruitment and activity, thus stimulating bone formation in ovariectomized rats. PF-431396 can be potentially used in treatment of osteoporosis.

Biological Activity I Assay Protocols (From Reference)
ln Vitro

In vitro activity: In A20 cells, PF-431396 blocks anti-Ig- and clustering LFA-1-induced tyrosine phosphorylation of Pyk2 and FAK, and further blocks B cell spreading. PF-431396 consistently inhibits the increase in protein tyrosine phosphorylation (PY) induced by the absence of added calcium and induced by W-7 in the presence of calcium.


Kinase Assay: PF-431396 is dual focal adhesion kinase (FAK) and proline-rich tyrosine kinase 2 (PYK2) inhibitor (IC50 values are 2 and 11 nM respectively), PF-431396 has a Kd value of 445 nM for BRD4. IC50 value: 2 nM (FAK); 11 nM (PYK2); 445 nM (KD for BRD4) [1] [2] Target: FAK; PYK2; BRD4 in vitro: PF-431396 is a potent and highly selective pyrimidine-based inhibitor of both Pyk2 and FAK, Consistent with the idea that the tyrosine phosphorylation of Pyk2 and FAK involves an initial autophosphorylation or transphosphorylation step, treating A20 cells with PF-431396 blocked anti-Ig-induced tyrosine phosphorylation of Pyk2 and FAK when the cells were stimulated in suspension when they were stimulated on ECM. Nanomolar affinities were also determined for PF-431396 (Kd = 445 ± 42 nM) and for the PIM inhibitor (Kd = 565 ± 63 nM).

ln Vivo

Animal Protocol


References
:J Biol Chem.2009 May 8;284(19):13193-201;J Biol Chem.2009 Aug 21;284(34):22865-77.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C22H21F3N6O3S
Molecular Weight
506.5
CAS #
717906-29-1
SMILES
S(C([H])([H])[H])(N(C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])N([H])C1C(C(F)(F)F)=C([H])N=C(N=1)N([H])C1C([H])=C([H])C2=C(C=1[H])C([H])([H])C(N2[H])=O)(=O)=O
InChi Key
POJZIZBONPAWIV-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
Chemical Name
N-Methyl-N-[2-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide
Synonyms
PF 431396; PF431396; PF-431396;
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO: 100 mg/mL (197.43 mM)
Water:<1 mg/mL
Ethanol:<1 mg/mL
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.9743 mL 9.8717 mL 19.7433 mL
5 mM 0.3949 mL 1.9743 mL 3.9487 mL
10 mM 0.1974 mL 0.9872 mL 1.9743 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
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Biological Data
  • PF-431396

    PF-4618433 promotes osteogenesis of hMSC cultures. hMSC cultures were treated with PF-431396 (days 4-7) or with PF-4618433 (days 1-7), and alkaline phosphatase activity determined on day 7 (A and B, respectively).J Biol Chem.2009 May 8;284(19):13193-201.

  • PF-431396

    SPR analysis of PYK2 compound binding kinetics.J Biol Chem.2009 May 8;284(19):13193-201.

  • PF-431396

    A, molecular surface of the PYK2 in the active site region in complex with ATPγS (magenta). Critical side chains are labeled (ball and stick representation) with hydrogen bonds (dashed lines). B, active site of PYK2 bound to PF-431396 (magenta). Hydrophobic residues interacting with the sulfonamide group are shown in yellow.J Biol Chem.2009 May 8;284(19):13193-201.

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