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Chemical structure of Prenyl-IN-1

GC31276

Prenyl-IN-1

Also known as 4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-phenoxybenzonitrile

Prenyl-IN-1 is a protein prenylation inhibitor, especially a geranylgeranyltransferase (GGT) or a farnesyltransferase (FT) inhibitor, exhibiting potent activity against oxidative stress, and particularly in the treatment of Parkinson's Disease

ChemicalCAS360561-53-1MW497.98FormulaC28H24ClN5O2
CAS number
360561-53-1
Molecular weight
497.98
Formula
C28H24ClN5O2
Solubility
Soluble in DMSO
InChIKey
JAUARQFUHQYXHN-UHFFFAOYSA-N
Catalogue number
GC31276
Brand
GLPBIO
Computed properties PubChem CID 10368623 · XLogP 4.2 · TPSA 74.4 Ų · H-bond donors 0
XLogP
4.2
TPSA
74.4 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36

SMILES C1CN(C(=O)CN1CC2=CN=CN2CC3=CC(=C(C=C3)C#N)OC4=CC=CC=C4)C5=CC(=CC=C5)Cl

Computed descriptors from PubChem (CID 10368623), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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