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Chemical structure of PP5-IN-1

GC73572

PP5-IN-1

Also known as N-(4-benzylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

PP5-IN-1 (Compound P053) is a competitive inhibitor of Serine/threonine protein phosphatase-5 (PP5) that binds to its catalytic domain and causes apoptosis in renal cancer

ChemicalCAS1022417-69-1MW342.41FormulaC18H18N2O3S
CAS number
1022417-69-1
Molecular weight
342.41
Formula
C18H18N2O3S
Solubility
DMSO ： 100 mg/mL (292·05 mM; Need ultrasonic)
InChIKey
QDUOZMMIRWIMGB-UHFFFAOYSA-N
Catalogue number
GC73572
Brand
GLPBIO
Computed properties PubChem CID 3296145 · XLogP 3.6 · TPSA 80.6 Ų · H-bond donors 1
XLogP
3.6
TPSA
80.6 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24

SMILES CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)CC3=CC=CC=C3

Computed descriptors from PubChem (CID 3296145), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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