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CS-W001157 4
Total: USD 88.00

1H-Pyrazolo[3,4-b]pyrazin-3-amine

  • CAS No. 81411-64-5

  • Cat. No. CS-W003687
  • Purity≥98%
  • MDL No.MFCD09909663

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

1H-Pyrazolo[3,4-b]pyrazin-3-amine|CS-W003687

Structure of 81411-64-5

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General Information

  • CAS No. 81411-64-5
  • Cat. No. CS-W003687
  • Purity ≥98%
  • MDL No. MFCD09909663
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₅
  • Molecular Weight 135.13
  • Synonym(s) 3-aminopyrazolopyrazine
  • SMILES NC1=NNC2=NC=CN=C21

Description

1H-Pyrazolo[3,4-b]pyrazin-3-amine features a fused heterocyclic core with dual nitrogen-rich rings, enabling strong hydrogen bonding and enhanced solubility in polar solvents. This scaffold integrates readily into bioactive molecules, serving as a key pharmacophore in kinase inhibitor design and medicinal chemistry campaigns requiring high binding affinity and metabolic stability.

Application

1H-Pyrazolo[3,4-b]pyrazin-3-amine serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through established coupling reactions. Its dual nitrogen-rich framework provides enhanced solubility and hydrogen-bonding capacity, facilitating downstream functionalization. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows in drug discovery.

Synthesis

  • Route1

    References

    • Kocevar, Marjan; Tisler, Miha; Stanovnik, Branko Heterocycles, 1982 , vol. 19, # 2 p. 339 - 342
  • Route2
    • null|null
      81411-61-2
    • ~58%
    • In-stock
      1H-Pyrazolo[3,4-b]pyrazin-3-amine|CS-W003687
      81411-64-5

    References

    • Kocevar, Marjan; Vercek, Bojan; Stanovnik, Branko; Tisler, Miha Monatshefte fuer Chemie, 1982 , vol. 113, p. 731 - 744
  • Route3
    • null|null
      83410-11-1
    • ~11%
    • In-stock
      1H-Pyrazolo[3,4-b]pyrazin-3-amine|CS-W003687
      81411-64-5

    References

    • Kocevar, Marjan; Vercek, Bojan; Stanovnik, Branko; Tisler, Miha Monatshefte fuer Chemie, 1982 , vol. 113, p. 731 - 744

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

Quality Control

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Computational Chemistry Data

  • TPSA   80.48
  • LogP   -0.0649
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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