![N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide structure, CAS 717906-29-1](/structures/60000/57988_1_717906_29_1.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 717906-29-1 |
| Catalog No. | 2A-9057988 |
| Chinese Name | N-甲基-N-[2-[[[2-[(2-氧代-2,3-二氢-1H-吲哚-5-基)氨基]-5-三氟甲基嘧啶-4-基]氨基]甲基]苯基]甲磺酰胺 |
| Synonyms | 3fzr; cc-292; PF-431396 |
| Molecular Formula | C22H21O3N6S1F3 |
| Molecular Weight | 506.51 |
| Purity | 98.00 |
| Density | 1.5±0.1 g/cm3 |
| Appearance | off-white to blue-gray |
| Water Solubility | DMSO: ≥10mg/mL |
| Storage Condition | 2-8°C |
| MDL Number | MFCD16038300 |
| SMILES | CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O |
| InChI Key | POJZIZBONPAWIV-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/57988_1_717906_29_1.pdf |
| Bioactivity | 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 >> FAK Signaling Pathways >> Protein Tyrosine Kinase/RTK >> Pyk2 Research 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 |
| Use of | Properties 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 Biological Activity Related Catalog Signaling Pathways >> Protein Tyrosine Kinase/RTK >> FAK Signaling Pathways >> Protein Tyrosine Kinase/RTK >> Pyk2 Research 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 Molecular Formula C22H21F3N6O3S Exact Mass 506.134796 PSA 127.93000 Appearance of Characters off-white to blue-gray Index of Refraction 1.643 InChIKey POJZIZBONPAWIV-UHFFFAOYSA-N |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (PF-431396) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (PF-431396) International air transport hazard regulations: Toxic solid, organic, n.o.s. (PF-431396) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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