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CS-W001157 4
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1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidamide

  • CAS No. 256376-68-8

  • Cat. No. CS-M2180
  • Purity≥98%
  • MDL No.MFCD18259864

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

1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidamide|CS-M2180

Structure of 256376-68-8

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General Information

  • CAS No. 256376-68-8
  • Cat. No. CS-M2180
  • Purity ≥98%
  • MDL No. MFCD18259864
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂FN₅
  • Molecular Weight 269.28
  • Synonym(s) 1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide
  • SMILES NC(C1=NN(CC2=CC=CC=C2F)C3=NC=CC=C31)=N

Synthesis

  • Route1
    • Methyl 1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridine-3-carbimidate|CS-0662160
      304874-06-4
    • ~75%
    • 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidamide|CS-M2180
      256376-68-8

    References

    • Bayer HealthCare AG Patent: US6833364 B1, 2004 ; Location in patent: Page column 34 ;
  • Route2
    • 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile Riociguat Impurity|CS-0229103
      256376-65-5
    • ~86%
    • 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidamide|CS-M2180
      256376-68-8

    References

    • BAYER HEALTHCARE AG Patent: WO2004/9590 A1, 2004 ; Location in patent: Page/Page column 23 ;
  • Route3

    References

    • Straub, Alexander; Stasch, Johannes-Peter; Alonso-Alija, Cristina; Benet-Buchholz, Jordi; Ducke, Bernhard; Feurer, Achim; Fuerstner, Chantal Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 6 p. 781 - 784

Safety Information

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Computational Chemistry Data

  • TPSA   80.58
  • LogP   1.90277
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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