ChemicalBook--->CAS DataBase List--->1180676-32-7

1180676-32-7

1180676-32-7 Structure

1180676-32-7 Structure
IdentificationBack Directory
[Name]

(2Z)-5-(4-Chlorophenyl)-3-phenyl-2-pentenoicacid
[CAS]

1180676-32-7
[Synonyms]

PS 48
CS-1466
PS 48;PS-48
1180676-32-7
PS-48;PS 48;PS48
5-(4-Chloro-phenyl)-3-phenyl-pent-2-enoic acid
(2Z)-5-(4-Chlorophenyl)-3-phenyl-2-pentenoicacid
(Z)-5-(4-Chlorophenyl)-3-phenylpent-2-enoic acid
2-Pentenoic acid, 5-(4-chlorophenyl)-3-phenyl-, (2Z)-
[Molecular Formula]

C17H15ClO2
[MDL Number]

MFCD17215962
[MOL File]

1180676-32-7.mol
[Molecular Weight]

286.75
Chemical PropertiesBack Directory
[Melting point ]

114-115℃
[Boiling point ]

444.1±24.0 °C(Predicted)
[density ]

1.225±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: >20mg/mL
[form ]

powder
[pka]

4.55±0.10(Predicted)
[color ]

white to off-white
[InChI]

1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
[InChIKey]

LLJYFDRQFPQGNY-QINSGFPZSA-N
[SMILES]

OC(=O)\C=C(\CCc1ccc(Cl)cc1)c2ccccc2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

PS 48 is a phosphoinositide-dependent protein kinase-1 (PDK1) activator.
[Biochem/physiol Actions]

PS48 is a PDK1 (phosphoinositide-dependent protein kinase 1) activator which binds to the HM/PIF binding pocket rather than the ATP-binding site. PS48 is one of only a few truly allosteric compounds targeting a regulatory binding site on a protein kinase catalytic domain that is not adjacent to or overlapping with the ATP-binding site.
Spectrum DetailBack Directory
[Spectrum Detail]

PS 48(1180676-32-7)1HNMR
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