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1-(4-Bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one

  • CAS No. 864872-05-9

  • Cat. No. CS-0157485
  • Molecule weight291.10
  • Purity≥95%
  • MDL No.MFCD06661809

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

1-(4-Bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one|CS-0157485

Structure of 864872-05-9

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General Information

  • CAS No. 864872-05-9
  • Cat. No. CS-0157485
  • Purity ≥95%
  • MDL No. MFCD06661809
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇BrN₄O
  • Molecular Weight 291.10
  • Synonym(s) 1-(4-bromo-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
  • SMILES O=C1C2=C(N(C3=CC=C(Br)C=C3)N=C2)N=CN1

Synthesis

  • Route1
    • 5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxamide|CS-0367045
      50427-80-0
    • null|null
      77287-34-4
    • ~%
    • 1-(4-Bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one|CS-0157485
      864872-05-9

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2006/50946 A1, 2006 ; Location in patent: Page/Page column 52 ; WO 2006/050946 A1

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   63.57
  • LogP   1.8713
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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