PZ0185

PF-431396 hydrate

≥98% (HPLC)

• Synonym(s): N-[2-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]-N-methyl-Methanesulfonamide hydrate
• Empirical Formula (Hill Notation): C₂₂H₂₁F₃N₆O₃S · xH₂O
• CAS Number: 717906-29-1
• Molecular Weight: 506.50 (anhydrous basis)
• MDL number: MFCD21608515
• UNSPSC Code: 12352200
• PubChem Substance ID: 329823759
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: powder
• color: off-white to blue-gray
• solubility: DMSO: ≥10 mg/mL
• storage temp.: 2-8°C
• SMILES string: O.CN(c1ccccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)S(C)(=O)=O
• InChI: 1S/C22H21F3N6O3S.H2O/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);1H2
• InChI key: XSXCARUUZVMRGX-UHFFFAOYSA-N

Description

Application

PF-431396 hydrate has been used as a dual inhibitor of proline-rich tyrosine kinase 2 (PYK2) / focal adhesion kinase (FAK) inhibitor to study its effects on phosphorylation of Yes-associated protein (YAP) at Ser127 and steady state of transcriptional coactivator with PDZ-binding motif (TAZ) . It has also been used as a PYK2/FAK inhibitor to study its effects on protein kinase A activation in human sperm samples .

Biochem/physiol Actions

PF-431396 is a potent inhibitor of PYK2 and FAK kinases (IC₅₀ = 11 and 1.5 nM, respectively). PF-431396 increases bone formation and protects against bone loss in ovariectomized rats.

Features and Benefits

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Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301,H319
• Precautionary Statements: P264 - P280 - P301 + P310 - P305 + P351 + P338 - P337 + P313 - P405
• Hazard Classifications: Acute Tox. 3 Oral - Eye Irrit. 2
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable