Guretolimod
2-[[4-[[2-amino-4-[[(3S)-1-hydroxyhexan-3-yl]amino]-6-methylpyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
Molecular Identity
Guretolimod
2-[[4-[[2-amino-4-[[(3S)-1-hydroxyhexan-3-yl]amino]-6-methylpyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID: 72548788
2D Structure
Properties
C24H34F3N5O4
Molecular Formula
513.60
Molecular Weight
g/mol
513.2563
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
134
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
12
H-Bond Acceptors
660
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(CCO)NC1=NC(=NC(=C1CC2=C(C=C(C=C2)CN(CC(=O)O)CC(F)(F)F)OC)C)NIsomeric SMILES
SMILES: CCC[C@@H](CCO)NC1=NC(=NC(=C1CC2=C(C=C(C=C2)CN(CC(=O)O)CC(F)(F)F)OC)C)NSynonyms(20)
Guretolimod1488364-57-3Guretolimod [INN]DSP0509DSP-05092UG29YVL56Glycine, N-((4-((2-amino-4-(((1S)-1-(2-hydroxyethyl)butyl)amino)-6-methyl-5-pyrimidinyl)methyl)-3-methoxyphenyl)methyl)-N-(2,2,2-trifluoroethyl)-Glycine, N-[[4-[[2-amino-4-[[(1S)-1-(2-hydroxyethyl)butyl]amino]-6-methyl-5-pyrimidinyl]methyl]-3-methoxyphenyl]methyl]-N-(2,2,2-trifluoroethyl)-(((4-((2-AMINO-4-(((3S)-1-HYDROXYHEXAN-3-YL)AMINO)-6-METHYLPYRIMIDIN-5-YL)METHYL)-3-METHOXYPHENYL)METHYL)(2,2,2-TRIFLUOROETHYL)AMINO)ACETIC ACID[({4-[(2-amino-4-{[(3S)-1-hydroxyhexan-3-yl]amino}-6-methylpyrimidin-5-yl)methyl]-3-methoxyphenyl}methyl)(2,2,2-trifluoroethyl)amino]acetic acidRefChem:144791TLR7 Agonist DSP-0509DSP 0509Toll-like Receptor 7 Agonist DSP-0509Guretolimod [USAN]
Data from PubChem (NCBI)
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