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Chemical structure of Baliforsen

GC70940

Baliforsen

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

Baliforsen is an antisense oligonucleotide (16 nucleotides) designed to target myotonic dystrophy protein kinase (DMPK) mRNA and research myotonic dystrophy

ChemicalCAS1698048-23-5MW5616
CAS number
1698048-23-5
Molecular weight
5616
Formula
—
Solubility
H2O ： ≥ 100 mg/mL (17·81 mM)
InChIKey
KAXINNXKJSFUQD-DLBGVQEBSA-N
Catalogue number
GC70940
Brand
GLPBIO
Computed properties PubChem CID 121494124 · XLogP -8 · TPSA 2400 Ų · H-bond donors 36
XLogP
-8
TPSA
2400 Ų
H-bond donors
36
H-bond acceptors
127
Rotatable bonds
108
Heavy atoms
359

SMILES C[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=C(C(=NC3=O)N)C)OP(=S)(O)OC[C@]45[C@@H](O[C@H]([C@@H]4OP(=S)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=C(NC8=O)N)OP(=S)(O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)OCCOC)O)[C@@H](O5)N1C=C(C(=NC1=O)N)C)C)COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1([C@@H](O2)C)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1([C@@H](O2)C)COP(=S)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=S)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=O)NC1=O)C)CO)N1C=C(C(=NC1=O)N)C)N1C=C(C(=NC1=O)N)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C

Computed descriptors from PubChem (CID 121494124), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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