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Chemical structure of PAL-4

GC70981

PAL-4

Also known as 5-[(4-chlorophenyl)methylsulfanyl]-2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,2,4-triazol-3-amine

PAL-4 (compound 4) is a potent, selective and reversible Lysophospholipase-like 1 (LYPLAL1) activator with EC50 value of 0·39 μM and 0·49 μM for mice LYPLAL1 and huamn LYPLAL1, respectively

ChemicalCAS2609594-35-4MW422.91FormulaC17H15ClN4O3S2
CAS number
2609594-35-4
Molecular weight
422.91
Formula
C17H15ClN4O3S2
InChIKey
YDRIWANEBBWTMK-UHFFFAOYSA-N
Catalogue number
GC70981
Brand
GLPBIO
Computed properties PubChem CID 146020332 · XLogP 4.4 · TPSA 134 Ų · H-bond donors 1
XLogP
4.4
TPSA
134 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27

SMILES C1COC2=C1C=C(C=C2)S(=O)(=O)N3C(=NC(=N3)SCC4=CC=C(C=C4)Cl)N

Computed descriptors from PubChem (CID 146020332), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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