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Chemical structure of S 17092

GC65086

S 17092

Also known as [(2S,3aS,7aS)-2-(1,3-thiazolidine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone

S 17092 (S 17092-1) is a potent cerebral prolyl-endopeptidase (PEP) inhibitor with an IC50 of 1·2 nM

ChemicalCAS176797-26-5MW384.53FormulaC22H28N2O2S
CAS number
176797-26-5
Molecular weight
384.53
Formula
C22H28N2O2S
Solubility
DMSO ： ≥ 100 mg/mL (260·06 mM)
InChIKey
NXSXRIHXEQSYEZ-KNJMJIDISA-N
Catalogue number
GC65086
Brand
GLPBIO
Computed properties PubChem CID 9929984 · XLogP 3.5 · TPSA 65.9 Ų · H-bond donors 0
XLogP
3.5
TPSA
65.9 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27

SMILES C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@@H]3C[C@H]3C4=CC=CC=C4)C(=O)N5CCSC5

Computed descriptors from PubChem (CID 9929984), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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