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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

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About This Item

Empirical Formula (Hill Notation):
C22H21F3N6O3S · xH2O
CAS Number:
717906-29-1
Molecular Weight:
506.50 (anhydrous basis)
NACRES:
NA.77
PubChem Substance ID:
329823759
UNSPSC Code:
12352200
MDL number:
MFCD21608515
Assay:
≥98% (HPLC)
Form:
powder
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Quality Segment

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

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 hydrate is a potent PYK2/FAK inhibitor
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

This compound is a featured product for Kinase Phosphatase Biology research. Click here to discover more featured Kinase Phosphatase Biology products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Codes

H301,H319

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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