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Chemical structure of PKM2 activator 5

GC75372

PKM2 activator 5

Also known as 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine

PKM2 activator 5 (compound 8) is a PKM2 activator with an AC50 value of 0·316 ?M

ChemicalCAS796092-26-7MW442.48FormulaC18H19FN2O6S2
CAS number
796092-26-7
Molecular weight
442.48
Formula
C18H19FN2O6S2
Solubility
DMSO: 50 mg/mL (113·00 mM; Need ultrasonic)
InChIKey
SOEFEUAERZUSNF-UHFFFAOYSA-N
Catalogue number
GC75372
Brand
GLPBIO
Computed properties PubChem CID 2460181 · XLogP 1.5 · TPSA 110 Ų · H-bond donors 0
XLogP
1.5
TPSA
110 Ų
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
29

SMILES C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)F

Computed descriptors from PubChem (CID 2460181), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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