Chemical Compound

Defoslimod

CAS Registry Number 171092-39-0
Defoslimod chemical structure
Primary Record

Defoslimod

In stock
2,597 g
Purity
98.5 %
CAS
171092-39-0

Compound Identifiers & Properties

CAS
171092-39-0
PubChem CID
9833422
SMILES
CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)O)O
Canonical SMILES
CCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1O

Names & Synonyms

  • Defoslimod
  • Triacyl lipid A
  • Triacyl lipid A OM-174
  • OM-174
  • RefChem:928192
  • D09POQ
  • CHEMBL374223
  • HC3530GGGG
  • SCHEMBL132545
  • OM 174
  • OM174
  • orb2664270
  • CID9833422
  • C13907
  • HY-164386
  • J1.419.420G
  • 171092-39-0
  • [(1R)-1-[2-[[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-3,4-dihydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-phosphonooxy-tetrahydropyran-3-yl]amino]-2-oxo-ethyl]dodecyl] dodecanoate
  • {[(2R,3R,4R,5S,6R)-6-({[(2R,3R,4R,5S,6R)-3-[(3R)-3-(dodecanoyloxy)tetradecanamido]-4-hydroxy-6-(hydroxymethyl)-5-(phosphonooxy)oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-[(3R)-3-hydroxytetradecanamido]oxan-2-yl]oxy}phosphonic acid
  • 1-O-Phosphono-2-[[(3R)-3-hydroxytetradecanoyl]amino]-2,6-dideoxy-alpha-D-glucopyranose-6-yl 2-[[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino]-4-O-phosphono-2-deoxy-beta-D-glucopyranoside
  • 6-O-[2-[(R)-3-(Dodecanoyloxy)tetradecanoylamino]-4-O-phosphono-2-deoxy-beta-D-glucopyranosyl]-2-[(R)-3-hydroxytetradecanoylamino]-2-deoxy-alpha-D-glucopyranose 1-phosphoric acid