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CS-W001157 4
Total: USD 88.00

4-Amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one

  • CAS No. 80791-93-1

  • Cat. No. CS-0505172
  • Purity≥98%
  • MDL No.MFCD10566672

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

4-Amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one|CS-0505172

Structure of 80791-93-1

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General Information

  • CAS No. 80791-93-1
  • Cat. No. CS-0505172
  • Purity ≥98%
  • MDL No. MFCD10566672
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁FIN₃O₄
  • Molecular Weight 371.10
  • Synonym(s) 2'-Deoxy-2'-fluoro-5-iodocytidine
  • SMILES F[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C(N=C(N)C(I)=C2)=O

Synthesis

  • Route1

    References

    • Shi, Junxing; Du, Jinfa; Ma, Tianwei; Pankiewicz, Krzysztof W.; Patterson, Steven E.; Tharnish, Phillip M.; McBrayer, Tamara R.; Stuyver, Lieven J.; Otto, Michael J.; Chu, Chung K.; Schinazi, Raymond F.; Watanabe, Kyoichi A. Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 5 p. 1641 - 1652
  • Route2
    • null|null
      83966-99-8
    • ~%
    • 4-Amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one|CS-0505172
      80791-93-1

    References

    • Watanabe, Kyoichi A.; Su, Tsann-Long; Klein, Robert S.; Chu, Chung K.; Matsuda, Akira; et al. Journal of Medicinal Chemistry, 1983 , vol. 26, # 2 p. 152 - 156
  • Route3
    • Ancitabine|CS-0013321
      31698-14-3
    • ~%
    • 4-Amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one|CS-0505172
      80791-93-1

    References

    • Shi, Junxing; Du, Jinfa; Ma, Tianwei; Pankiewicz, Krzysztof W.; Patterson, Steven E.; Hassan, Abdalla E. A.; Tharnish, Phillip M.; McBrayer, Tamara R.; Lostia, Stefania; Stuyver, Lieven J.; Watanabe, Kyoichi A.; Chu, Chung K.; Schinazi, Raymond F.; Otto, Michael J. Nucleosides, Nucleotides and Nucleic Acids, 2005 , vol. 24, # 5-7 p. 875 - 879

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   110.6
  • LogP   -0.9812
  • H_Acceptors   7
  • H_Donors   3
  • Rotatable_Bonds   2

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