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CS-W001157 4
Total: USD 88.00

4-Methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

  • CAS No. 5418-10-0

  • Cat. No. CS-0045964
  • Purity≥97%
  • MDL No.MFCD02675926

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

4-Methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine|CS-0045964

Structure of 5418-10-0

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General Information

  • CAS No. 5418-10-0
  • Cat. No. CS-0045964
  • Purity ≥97%
  • MDL No. MFCD02675926
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₄S
  • Molecular Weight 166.20
  • Synonym(s) 4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine
  • SMILES CSC1=C2C(NN=C2)=NC=N1

Synthesis

  • Route1
    • 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine|CS-D1776
      5399-92-8
    • null|null
      5188-07-8
    • ~96%
    • 4-Methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine|CS-0045964
      5418-10-0

    References

    • TANABE SEIYAKU CO., LTD. Patent: EP1772454 A1, 2007 ; Location in patent: Page/Page column 61 ; EP 1772454 A1
  • Route2
    • null|null
      5334-23-6
    • null|null
      74-88-4
    • ~85%
    • 4-Methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine|CS-0045964
      5418-10-0

    References

    • Amersham Pharmacia Biotech UK Limited Patent: US6600028 B1, 2003 ;
  • Route3

    References

    • Moukha-Chafiq; Taha; Lazrek; Pannecouque; Witvrouw; De Clercq; Barascut; Imbach Nucleosides, Nucleotides and Nucleic Acids, 2001 , vol. 20, # 10-11 p. 1797 - 1810

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   54.46
  • LogP   1.0748
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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