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Chemical structure of Y 29794 tosylate

GB40421

Y 29794 tosylate

Also known as [2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone;4-methylbenzenesulfonic acid

Y 29794 tosylate is an orally active, potent and specific prolyl endopeptidase (PPCE) inhibitor that is easily penetrable into the brain· Y-29794 tosylate selectively and competitively inhibited rat brain PPCE in a reversible manner with a Ki value of 0·95 nM· Moreover, Y 29794 tosylate exhibited potent inhibitory activity with an IC50 value of 3·0 nM for both brain crude extract and partially purified enzyme fraction

ChemicalCAS143984-17-2MW590.86FormulaC23H34N2OS2·C7H8O3S
CAS number
143984-17-2
Molecular weight
590.86
Formula
C23H34N2OS2·C7H8O3S
InChIKey
CSLUSHFIPGHVIY-UHFFFAOYSA-N
Catalogue number
GB40421
Brand
GLPBIO
Computed properties PubChem CID 9851449 · TPSA 149 Ų · H-bond donors 1 · H-bond acceptors 8
TPSA
149 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
39

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCCCN(C)C

Computed descriptors from PubChem (CID 9851449), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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