CAS 717906-29-1|PF-431396

Introduction：Basic information about CAS 717906-29-1|PF-431396, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. PF-431396 BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	PF-431396
CAS Number	717906-29-1	Molecular Weight	506.501
Density	1.5±0.1 g/cm3	Boiling Point	/
Molecular Formula	C₂₂H₂₁F₃N₆O₃S	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
Synonym	More Synonyms

PF-431396 BiologicalActivity

Description	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; BRD4in 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 [3]. Nanomolar affinities were also determined for PF-431396 (Kd = 445 ± 42 nM) and for the PIM inhibitor (Kd = 565 ± 63 nM) [2].
Related Catalog	Signaling Pathways >>Protein Tyrosine Kinase/RTK >>FAKSignaling Pathways >>Protein Tyrosine Kinase/RTK >>Pyk2Research Areas >>Cancer
References	[1]. Buckbinder L, et al. Proline-rich tyrosine kinase 2 regulates osteoprogenitor cells and bone formation, and offers an anabolic treatment approach for osteoporosis. Proc Natl Acad Sci U S A. 2007 Jun 19;104(25):10619-24. [2]. Ciceri P, et al. Dual kinase-bromodomain inhibitors for rationally designed polypharmacology. Nat Chem Biol. 2014 Mar 2. [3]. Tse KW, et al. B cell receptor-induced phosphorylation of Pyk2 and focal adhesion kinase involves integrins and the Rap GTPases and is required for B cell spreading. J Biol Chem. 2009 Aug 21;284(34):22865-77.

Description

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; BRD4in 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 [3]. Nanomolar affinities were also determined for PF-431396 (Kd = 445 ± 42 nM) and for the PIM inhibitor (Kd = 565 ± 63 nM) [2].

Related Catalog

Signaling Pathways >>Protein Tyrosine Kinase/RTK >>FAKSignaling Pathways >>Protein Tyrosine Kinase/RTK >>Pyk2Research Areas >>Cancer

References

[1]. Buckbinder L, et al. Proline-rich tyrosine kinase 2 regulates osteoprogenitor cells and bone formation, and offers an anabolic treatment approach for osteoporosis. Proc Natl Acad Sci U S A. 2007 Jun 19;104(25):10619-24.

[2]. Ciceri P, et al. Dual kinase-bromodomain inhibitors for rationally designed polypharmacology. Nat Chem Biol. 2014 Mar 2.

[3]. Tse KW, et al. B cell receptor-induced phosphorylation of Pyk2 and focal adhesion kinase involves integrins and the Rap GTPases and is required for B cell spreading. J Biol Chem. 2009 Aug 21;284(34):22865-77.

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Molecular Formula	C₂₂H₂₁F₃N₆O₃S
Molecular Weight	506.501
Exact Mass	506.134796
PSA	127.93000
LogP	1.36
Appearance of Characters	off-white to blue-gray
Index of Refraction	1.643
InChIKey	POJZIZBONPAWIV-UHFFFAOYSA-N
SMILES	CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O
Storage condition	2-8°C
Water Solubility	DMSO: ≥10mg/mL

Safety Information

Hazard Codes	T
Risk Phrases	25-36
Safety Phrases	26-45
RIDADR	UN 2811 6.1 / PGIII

Synonyms

Methanesulfonamide, N-[2-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]-N-methyl-

3fzr

cc-292

N-METHYL-N-[2-[[[2-[(2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)AMINO]-5-TRIFLUOROMETHYLPYRIMIDIN-4-YL]AMINO]METHYL]PHENYL]METHANESULFONAMIDE

N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide

PF-431396

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