PZ0185

PF-431396 hydrate

≥98% (HPLC)

• Synonyme(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
• Formule empirique (notation de Hill): C₂₂H₂₁F₃N₆O₃S · xH₂O
• Numéro CAS: 717906-29-1
• Poids moléculaire : 506.50 (anhydrous basis)
• Numéro MDL: MFCD21608515
• Code UNSPSC : 12352200
• ID de substance PubChem : 329823759
• Nomenclature NACRES : NA.77

Propriétés

• Niveau de qualité: 100
• Pureté: ≥98% (HPLC)
• Forme: powder
• Couleur: off-white to blue-gray
• Solubilité: DMSO: ≥10 mg/mL
• Température de stockage: 2-8°C
• Chaîne SMILES: 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
• Clé InChI: 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 .

Actions biochimiques/physiologiques

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.

Caractéristiques et avantages

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Informations sur la sécurité

• Pictogrammes: GHS06
• Mention d'avertissement: Danger
• Mentions de danger: H301,H319
• Conseils de prudence: P264 - P280 - P301 + P310 - P305 + P351 + P338 - P337 + P313 - P405
• Classification des risques: Acute Tox. 3 Oral - Eye Irrit. 2
• Code de la classe de stockage: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable