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CS-W001157 4
Total: USD 88.00

(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol

  • CAS No. 142217-77-4

  • Cat. No. CS-0156210
  • Molecule weight551.64
  • Purity≥98%
  • MDL No.MFCD09750977

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

(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol|CS-0156210

Structure of 142217-77-4

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General Information

  • CAS No. 142217-77-4
  • Cat. No. CS-0156210
  • Purity ≥98%
  • MDL No. MFCD09750977
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₂H₃₃N₅O₄
  • Molecular Weight 551.64
  • Synonym(s) Intermediate of Entecavir 2
  • SMILES O[C@H]1[C@H](COCC2=CC=CC=C2)[C@@H](OCC3=CC=CC=C3)C[C@@H]1N4C=NC5=C(OCC6=CC=CC=C6)N=C(N)N=C45

Synthesis

  • Route1
    • In-stock
      (1S,2R,3S,5R)-3-(Benzyloxy)-2-((benzyloxy)methyl)-6-oxabicyclo[3.1.0]hexane|CS-0132707
      110567-22-1
    • 6-(Benzyloxy)-9H-purin-2-amine Entecavir Impurity|CS-0167240
      19916-73-5
    • ~60%
    • In-stock
      (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol|CS-0156210
      142217-77-4

    References

    • Bisacchi; Chao; Bachard; Daris; Innaimo; Jacobs; Kocy; Lapointe; Martel; Merchant; Slusarchyk; Sundeen; Young; Colonno; Zahler Bioorganic and Medicinal Chemistry Letters, 1997 , 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
    • ~%
    • In-stock
      (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol|CS-0156210
      142217-77-4

    References

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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   117.54
  • LogP   4.7116
  • H_Acceptors   9
  • H_Donors   2
  • Rotatable_Bonds   11

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