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CS-W001157 4
Total: USD 88.00

Diethyl ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphonate

  • CAS No. 116384-53-3

  • Cat. No. CS-0441520
  • Molecule weight329.29
  • Purity≥98%
  • MDL No.None

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

Diethyl ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphonate|CS-0441520

Structure of 116384-53-3

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General Information

  • CAS No. 116384-53-3
  • Cat. No. CS-0441520
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₀N₅O₄P
  • Molecular Weight 329.29
  • Synonym(s) 9-[2-(Diethylphosphonomethoxy)ethyl]adenine(Diethyl PMEA)
  • SMILES CCOP(=O)(COCCN1C=NC2=C(N)N=CN=C21)OCC

Synthesis

  • Route1

    References

    • Roux, Loic; Priet, Stephane; Payrot, Nadine; Weck, Clement; Fournier, Maelenn; Zoulim, Fabien; Balzarini, Jan; Canard, Bruno; Alvarez, Karine European Journal of Medicinal Chemistry, 2013 , vol. 63, p. 869 - 881
  • Route2
    • Diethyl ((2-chloroethoxy)methyl)phosphonate|CS-0362722
      116384-56-6
    • null|null
      66224-66-6
    • ~46%
    • Diethyl ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphonate|CS-0441520
      116384-53-3

    References

    • Holy, Antonin; Rosenberg, Ivan Collection of Czechoslovak Chemical Communications, 1987 , vol. 52, # 11 p. 2801 - 2809
  • Route3
    • null|null
      185900-69-0
    • ~89%
    • Diethyl ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphonate|CS-0441520
      116384-53-3

    References

    • Dang, Qun; Liu, Yan; Erion, Mark D. Nucleosides and Nucleotides, 1998 , vol. 17, # 8 p. 1445 - 1451

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

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Computational Chemistry Data

  • TPSA   114.38
  • LogP   1.6487
  • H_Acceptors   9
  • H_Donors   1
  • Rotatable_Bonds   9

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