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Chemical structure of RGLS4326

GC64903

RGLS4326

Also known as 1-[(1S,3R,4R,6S,7S)-1-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(1S,3R,4R,6S,7S)-3-(2-amino-6-oxo-1H-purin-9-yl)-1-[[[(1S,3R,4R,6S,7S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-7-[[(1R,3R,4R,6S,7S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione

RGLS4326 (RG4326) is a first-in-class, short oligonucleotide inhibitor of microRNA-17 (miR-17)

ChemicalCAS2229964-07-0MW3082.42FormulaC95H115F3N32O51P8S8
CAS number
2229964-07-0
Molecular weight
3082.42
Formula
C95H115F3N32O51P8S8
InChIKey
WAVSYQSKUSIMAY-IOHKGNKKSA-N
Catalogue number
GC64903
Brand
GLPBIO
Computed properties PubChem CID 154824286 · XLogP -7.8 · TPSA 1290 Ų · H-bond donors 21
XLogP
-7.8
TPSA
1290 Ų
H-bond donors
21
H-bond acceptors
74
Rotatable bonds
52
Heavy atoms
197

SMILES C[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=NC4=C(N=CN=C43)N)OP(=S)(O)OC[C@]56[C@@H](O[C@H]([C@@H]5OP(=O)(OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=CC(=NC8=O)N)OC)OP(=S)(O)OC[C@@H]9[C@H]([C@H]([C@@H](O9)N1C=NC2=C(N=CN=C21)N)F)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=NC1=O)N)F)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)NC1=O)F)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)NC1=O)OC)OP(=S)(O)OC[C@]12[C@@H](O[C@H]([C@@H]1OP(=S)(O)OC[C@]13[C@@H](O[C@H]([C@@H]1O)[C@@H](O3)N1C=NC3=C1N=C(NC3=O)N)C)[C@@H](O2)N1C=CC(=O)NC1=O)C)S)[C@@H](O6)N1C=NC2=C1N=C(NC2=O)N)C)CO

Computed descriptors from PubChem (CID 154824286), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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