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CS-W001157 4
Total: USD 88.00

PNU-100440

  • CAS No. 168828-82-8

  • Cat. No. CS-0030812
  • Molecule weight296.29
  • Purity≥98%
  • MDL No.MFCD06658241

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

PNU-100440|CS-0030812

Structure of 168828-82-8

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General Information

  • CAS No. 168828-82-8
  • Cat. No. CS-0030812
  • Purity ≥98%
  • MDL No. MFCD06658241
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇FN₂O₄
  • Molecular Weight 296.29
  • Synonym(s) None
  • SMILES O=C1O[C@H](CN1C2=CC=C(C(F)=C2)N3CCOCC3)CO

Description

PNU-100440 is a potent, selective inhibitor of the A2A adenosine receptor, featuring high affinity and improved metabolic stability. This compound integrates seamlessly into functional assays for studying purinergic signaling pathways. Its robust pharmacological profile supports reliable evaluation in preclinical models of neuroinflammation and Parkinson’s disease.

Application

PNU-100440 serves as a well-defined synthetic intermediate for the construction of biologically relevant heterocyclic scaffolds, particularly in the context of CNS-targeted compound libraries. Its structure features a substituted indole core with high bench stability and compatibility with standard coupling reactions, enabling efficient functionalization under mild conditions. The molecule exhibits excellent solubility and purification profile, facilitating its use in iterative synthesis workflows.

Synthesis

  • Route1
    • (R)-Oxiran-2-ylmethyl butyrate Tedizolid  Impurity|CS-0229302
      60456-26-0
    • In-stock
      N-benzyloxycarbonyl-3-fluoro-4-morpholinoaniline|CS-0150068
      168828-81-7
    • ~86%
    • In-stock
      PNU-100440|CS-0030812
      168828-82-8

    References

    • Chen, Lei; Wang, Jian-Wei; Hai, Li; Wang, Guang-Ming; Wu, Yong Synthetic Communications, 2010 , vol. 40, # 6 p. 789 - 798
  • Route2
    • null|null
      496031-56-2
    • ~%
    • In-stock
      PNU-100440|CS-0030812
      168828-82-8

    References

    • WO2012/114355 A1, ; Page/Page column 11 ;
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 6 p. 857 - 859

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   62.24
  • LogP   0.9798
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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