(4R,6S)-6-[(1E)-2-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidiny

For research use only. Not for therapeutic Use.

  • CAT Number: R046073
  • CAS Number: 289042-12-2
  • Molecular Formula: C₂₉H₄₀FN₃O₆S
  • Molecular Weight: 577.71
  • Purity: ≥95%
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(4R,6S)-6-[(1E)-2-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-4-hydroxy-2-oxa-1-azabicyclo[3.2.1]octane-3-carboxylic acid (Cat No.: R046073) is a complex bioactive molecule, structurally related to integrase strand transfer inhibitors (INSTIs) used in antiviral therapies, particularly for HIV. It contains multiple pharmacophoric elements: a fluorinated aromatic ring, sulfonamide, and a bicyclic lactam scaffold that support binding to viral enzymes. Its stereochemistry and functional groups enhance specificity and potency. Such compounds are typically studied for pharmaceutical development and require careful handling due to their bioactivity and synthetic complexity.


CAS Number 289042-12-2
Synonyms

Rosuvastatin Acetonide, tert-Butyl Ester

Molecular Formula C₂₉H₄₀FN₃O₆S
Purity ≥95%
Storage -20°C
IUPAC Name tert-butyl 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
InChI InChI=1S/C29H40FN3O6S/c1-18(2)25-23(15-14-21-16-22(38-29(6,7)37-21)17-24(34)39-28(3,4)5)26(19-10-12-20(30)13-11-19)32-27(31-25)33(8)40(9,35)36/h10-15,18,21-22H,16-17H2,1-9H3/b15-14+/t21-,22-/m1/s1
InChIKey WIFPCEOJTKZGSA-UQECUQMJSA-N
SMILES CC(C)C1=NC(=NC(=C1/C=C/[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C
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