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(2R,3S,5S)-3-(benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-9H-purin-9-yl)-2-((benzyloxy)methyl)cyclopentanone Entecavir Impurity

  • CAS No. 142217-79-6

  • Cat. No. CS-0165038
  • Purity95+%
  • MDL No.MFCD13185974

*For research and further manufacturing use only, not for direct human use.

(2R,3S,5S)-3-(benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-9H-purin-9-yl)-2-((benzyloxy)methyl)cyclopentanone  Entecavir Impurity|CS-0165038

Structure of 142217-79-6

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General Information

  • CAS No. 142217-79-6
  • Cat. No. CS-0165038
  • Purity 95+%
  • MDL No. MFCD13185974
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅₂H₄₇N₅O₅
  • Molecular Weight 821.96
  • Synonym(s) Entecavir intermediate 6
  • SMILES O=C1[C@H](COCC2=CC=CC=C2)[C@@H](OCC3=CC=CC=C3)C[C@@H]1N4C=NC5=C(OCC6=CC=CC=C6)N=C(NC(C7=CC=CC=C7)(C8=CC=C(OC)C=C8)C9=CC=CC=C9)N=C45

Synthesis

  • Route1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 7, # 2 p. 127 - 132
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 7, # 2 p. 127 - 132
  • Route3
    • ((Cyclopenta-2,4-dien-1-ylmethoxy)methyl)benzene|CS-1089778
      39939-07-6
    • ~%
    • (2R,3S,5S)-3-(benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-9H-purin-9-yl)-2-((benzyloxy)methyl)cyclopentanone  Entecavir Impurity|CS-0165038
      142217-79-6

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 7, # 2 p. 127 - 132

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   109.62
  • LogP   9.7502
  • H_Acceptors   10
  • H_Donors   1
  • Rotatable_Bonds   17

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