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CS-W001157 4
Total: USD 88.00

8-Thia-3,5,10-triazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

  • CAS No. 55115-79-2

  • Cat. No. CS-0243572
  • Purity≥95%
  • MDL No.None

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

8-Thia-3,5,10-triazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one|CS-0243572

Structure of 55115-79-2

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General Information

  • CAS No. 55115-79-2
  • Cat. No. CS-0243572
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅N₃OS
  • Molecular Weight 203.22
  • Synonym(s) 2-Hydroxy-pyrazolochinazolin-9-on
  • SMILES C1=CC2=C(N=C1)SC3=C2N=CNC3=O

Synthesis

  • Route1

    References

    • Showalter, H. D. Hollis; Bridges, Alexander J.; Zhou, Hairong; Sercel, Anthony D.; McMichael, Amy; Fry, David W. Journal of Medicinal Chemistry, 1999 , vol. 42, # 26 p. 5464 - 5474
  • Route2
    • 3-Pyridinecarbonitrile, 2-chloro-|CS-0654103
      6602-54-6
    • ~%
    • 8-Thia-3,5,10-triazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one|CS-0243572
      55115-79-2

    References

    • Showalter, H. D. Hollis; Bridges, Alexander J.; Zhou, Hairong; Sercel, Anthony D.; McMichael, Amy; Fry, David W. Journal of Medicinal Chemistry, 1999 , vol. 42, # 26 p. 5464 - 5474
  • Route3
    • 3-Aminothieno[2,3-b]pyridine-2-carboxamide|CS-0117860
      55557-48-7
    • null|null
      149-73-5
    • ~%
    • 8-Thia-3,5,10-triazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one|CS-0243572
      55115-79-2

    References

    • Zhao, Chunlin; Tovar, Christian; Yin, Xuefeng; Xu, Qui; Todorov, Ivan T.; Vassilev, Lyubomir T.; Chen, Li Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 2 p. 319 - 323

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

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Computational Chemistry Data

  • TPSA   58.64
  • LogP   1.5328
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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