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P5SA-2

CAT: 0804-HY-171177-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-171177-01Size:5 mg
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Description
P5SA-2 is a selective allosteric activator of PPP5C. P5SA-2 exerts its effects by modulating the phosphatase domain of PPP5C and can increase PPP5C activity by 3.2-fold at 100 μM with an apparent affinity constant of 7.8 μM. P5SA-2 can be used in cancer and Alzheimer's disease research[1].
CAS Number
864717-20-4
UNSPSC
12352005
Target
Phosphatase
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cancer; Neurological Disease
Purity
99.51
Smiles
ClC1=CC=C(CC2=NOC(C3=CC(OC)=C(OC)C=C3)=N2)C=C1
Molecular Formula
C17H15ClN2O3
Molecular Weight
330.77
References & Citations
[1]Zhang H, et al. Dual function of protein phosphatase 5 (PPP5C) : An emerging therapeutic target for drug discovery. Eur J Med Chem. 2023 Jun 5;254:115350.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-(4-Chlorobenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CAS Number864717-20-4
PubChem CID883674
IUPAC Name3-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Molecular FormulaC17H15ClN2O3
Molecular Weight330.8
XLogP4.3
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity366
SMILES
COC1=C(C=C(C=C1)C2=NC(=NO2)CC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C17H15ClN2O3/c1-21-14-8-5-12(10-15(14)22-2)17-19-16(20-23-17)9-11-3-6-13(18)7-4-11/h3-8,10H,9H2,1-2H3
InChIKey
SXAMNHNOVZQXKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Chlorobenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CAS: 864717-20-4
CID: 883674
Formula: C17H15ClN2O3
MW: 330.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.8
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass330.0771200
Monoisotopic Mass330.0771200
Topological Polar Surface Area57.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity366
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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