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Chemical structure of Metarrestin

GC38201

Metarrestin

Also known as 4-(7-benzyl-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-ol

Metarrestin (ML246) is an orally active, first-in-class and specific perinucleolar compartment inhibitor· Metarrestin disrupts the nucleolar structure and inhibits RNA polymerase (Pol) I transcription, at least in part by interacting with the translation elongation factor eEF1A2· Metarrestin blocks metastatic development and extends survival in mouse cancer models

ChemicalCAS1443414-10-5MW474.6FormulaC31H30N4O
CAS number
1443414-10-5
Molecular weight
474.6
Formula
C31H30N4O
Solubility
DMSO: 31·25 mg/mL (65·84 mM)
InChIKey
WSMXAUJFLWRPNT-UHFFFAOYSA-N
Catalogue number
GC38201
Brand
GLPBIO
Computed properties PubChem CID 50985821 · XLogP 5.6 · TPSA 64.6 Ų · H-bond donors 2
XLogP
5.6
TPSA
64.6 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
36

SMILES C1CC(CCC1N2C=NC3=C(C2=N)C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)O

Computed descriptors from PubChem (CID 50985821), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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