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PS 48 - 10mM in DMSO, high purity , CAS No.1180676-32-7
a phosphoinositide-dependent protein kinase-1 (PDK1) activator
Basic Description
Synonyms
(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Allosteric PDK1 activator. Stimulates PI3-kinase and phosphorylates AKT. Binds to the PIF pocket in the small lobe of PDK1. Shows developmental effects in vivo.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
PS 48 has been shown to be a PKB Kinase (phosphoinositide-dependent protein kinase-1, PDK1) activator (K|d|= 10.3 μM). Studies have indicated that this compound selectively binds to the PIF-binding pocket of PKB Kinase (PDK1). This is a distinct region separate from the ATP binding site.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Cinnamic acids Styrenes Medium-chain fatty acids Halogenated fatty acids Chlorobenzenes Unsaturated fatty acids Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Cinnamic acid - Cinnamic acid or derivatives - Medium-chain fatty acid - Styrene - Chlorobenzene - Halobenzene - Halogenated fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
pKa
pKₐ: 4.55 (Predicted)
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
INCHI
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
C1=CC=C(C=C1)C(=CC(=O)O)CCC2=CC=C(C=C2)Cl
Isomeric SMILES
C1=CC=C(C=C1)/C(=C\C(=O)O)/CCC2=CC=C(C=C2)Cl
WGK Germany
3
PubChem CID
44141940
Molecular Weight
286.76
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20D1.61 (Predicted)
Boil Point(°C)
~444.1° C at 760 mmHg (Predicted)
Molecular Weight
286.800 g/mol
XLogP3
5.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
286.076 Da
Monoisotopic Mass
286.076 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
337.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Xiao Wang, Zhen Li, Xiaojing Wu, Bingjie Liu, Tian Tian, Yi Ding, Haibo Zhang, Yuanli Li, Ye Liu, Chunai Dai.
(2024)
Self-Floating Polydopamine/Polystyrene Composite Porous Structure via a NaCl Template Method for Solar-Driven Interfacial Water Evaporation. Polymers,
16
(15):
(2231).
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1 Citations