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Chemical structure of GGTI298

GC36134

GGTI298

Also known as methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate

GGTI298 is a CAAZ peptidomimetic geranylgeranyltransferase I (GGTase I) inhibitor, strongly inhibiting the processing of geranylgeranylated Rap1A with little effect on processing of farnesylated Ha-Ras, with IC50 values of 3 and > 20 μM in vivo, respectively

ChemicalCAS180977-44-0MW479.63FormulaC27H33N3O3S
CAS number
180977-44-0
Molecular weight
479.63
Formula
C27H33N3O3S
Solubility
DMSO： 100 mg/mL (208·49 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
XVWPFYDMUFBHBF-CLOONOSVSA-N
Catalogue number
GC36134
Brand
GLPBIO
Computed properties PubChem CID 9811606 · XLogP 5.1 · TPSA 94.5 Ų · H-bond donors 4
XLogP
5.1
TPSA
94.5 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
34

SMILES CC(C)C[C@@H](C(=O)OC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC3=CC=CC=C32

Computed descriptors from PubChem (CID 9811606), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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