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Chemical structure of GGTI-286

GC64216

GGTI-286

Also known as methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylpentanoate

GGTI-286, a potent and cell-permeable GGTase I inhibitor, is 25-fold more potent (IC50=2 μM) than the corresponding methyl ester of FTI-276· GGTI-286 selectively inhibits geranylgeranylation of Rap1A over farnesylation of H-Ras in NIH3T3 cells (IC50s =2 and >30 μM, respectively)· GGTI-286 also potently inhibits oncogenic K-Ras4B stimulation with an IC50 of 1 μM

ChemicalCAS171744-11-9MW429.58FormulaC23H31N3O3S
CAS number
171744-11-9
Molecular weight
429.58
Formula
C23H31N3O3S
InChIKey
IENQPUVVSDIXCT-UTKZUKDTSA-N
Catalogue number
GC64216
Brand
GLPBIO
Computed properties PubChem CID 3012117 · XLogP 3.9 · TPSA 94.5 Ų · H-bond donors 4
XLogP
3.9
TPSA
94.5 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
30

SMILES CC(C)C[C@@H](C(=O)OC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2

Computed descriptors from PubChem (CID 3012117), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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