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CS-W001157 4
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1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dithione

  • CAS No. 13239-96-8

  • Cat. No. CS-0444555
  • Purity≥98%
  • MDL No.None

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

1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dithione|CS-0444555

Structure of 13239-96-8

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General Information

  • CAS No. 13239-96-8
  • Cat. No. CS-0444555
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₄S₂
  • Molecular Weight 276.33
  • Synonym(s) 2,4-Dithiouridine
  • SMILES O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C(NC(C=C2)=S)=S

Synthesis

  • Route1
    • null|null
      28542-32-7
    • ~92%
    • 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dithione|CS-0444555
      13239-96-8

    References

    • Ko, Hyojin; Carter, Rhonda L.; Cosyn, Liesbet; Petrelli, Riccardo; de Castro, Sonia; Besada, Pedro; Zhou, Yixing; Cappellacci, Loredana; Franchetti, Palmarisa; Grifantini, Mario; Van Calenbergh, Serge; Harden, T. Kendall; Jacobson, Kenneth A. Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 12 p. 6319 - 6332

Safety Information

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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   90.64
  • LogP   -0.11332
  • H_Acceptors   7
  • H_Donors   4
  • Rotatable_Bonds   2

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