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Chemical structure of PRI-724

GC61205

PRI-724

Also known as [4-[[(6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphate

PRI-724 (C-82 prodrug, ICG-001 analog) is a first-in-class Wnt signaling modulator that inhibits the interaction between cAMP response element (CREB) binding protein and β-catenin

ChemicalCAS1422253-38-0MW658.64FormulaC33H35N6O7P
CAS number
1422253-38-0
Molecular weight
658.64
Formula
C33H35N6O7P
InChIKey
VHOZWHQPEJGPCC-AZXNYEMZSA-N
Catalogue number
GC61205
Brand
GLPBIO
Computed properties PubChem CID 71509318 · XLogP 0.3 · TPSA 156 Ų · H-bond donors 3
XLogP
0.3
TPSA
156 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
47

SMILES C[C@H]1[C@H]2N([C@H](C(=O)N1CC3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)OP(=O)(O)O)C(=O)CN(N2C(=O)NCC6=CC=CC=C6)C

Computed descriptors from PubChem (CID 71509318), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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