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CS-W001157 4
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2-(Methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one

  • CAS No. 211244-81-4

  • Cat. No. CS-0036656
  • Purity≥96%
  • MDL No.None

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

2-(Methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one|CS-0036656

Structure of 211244-81-4

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General Information

  • CAS No. 211244-81-4
  • Cat. No. CS-0036656
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N₃OS
  • Molecular Weight 193.23
  • Synonym(s) 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
  • SMILES CSC1=NC2=NC(=O)C=CC2=CN1

Description

This pyrido[2,3-d]pyrimidinone scaffold features a methylthio group at the 2-position, enhancing lipophilicity and metabolic stability. The fused heterocyclic core provides rigidity and favorable electronic properties, enabling efficient integration into kinase inhibitor scaffolds and medicinal chemistry campaigns targeting ATP-binding sites.

Application

2-(Methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to purine analogs and kinase inhibitor scaffolds. Its methylthio group offers moderate stability and facilitates subsequent functionalization via oxidation or displacement reactions. The core pyrido[2,3-d]pyrimidin-7(8H)-one framework exhibits favorable solubility and bench stability, supporting straightforward purification and integration into multi-step syntheses.

Synthesis

  • Route1
    • Methyl 3-(4-amino-2-(methylthio)pyrimidin-5-yl)acrylate|CS-0492948
      454486-75-0
    • ~%
    • In-stock
      2-(Methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one|CS-0036656
      211244-81-4

    References

    • EP1364950 A1, ; Page/Page column 22 ; EP 1364950 A1
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 43, # 24 p. 4606 - 4616
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 43, # 24 p. 4606 - 4616

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

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Computational Chemistry Data

  • TPSA   58.64
  • LogP   0.9916
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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