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CS-W001157 4
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2-(Methylthio)pyrido[4,3-d]pyrimidin-5(6H)-one

  • CAS No. 902576-09-4

  • Cat. No. CS-0100038
  • Molecule weight193.23
  • Purity≥97%
  • MDL No.MFCD14756706

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

2-(Methylthio)pyrido[4,3-d]pyrimidin-5(6H)-one|CS-0100038

Structure of 902576-09-4

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General Information

  • CAS No. 902576-09-4
  • Cat. No. CS-0100038
  • Purity ≥97%
  • MDL No. MFCD14756706
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N₃OS
  • Molecular Weight 193.23
  • Synonym(s) 2-methylsulfanyl-6h-pyrido[4,3-d]pyrimidin-5-one
  • SMILES O=C1NC=CC2=NC(SC)=NC=C21

Synthesis

  • Route1
    • null|null
      1228565-00-1
    • ~75%
    • In-stock
      2-(Methylthio)pyrido[4,3-d]pyrimidin-5(6H)-one|CS-0100038
      902576-09-4

    References

    • MERCK PATENT GMBH; SCHIEMANN, Kai; SCHULTZ, Melanie; STAEHLE, Wolfgang; KOBER, Ingo; WIENKE, Dirk; KRIER, Mireille Patent: WO2010/63352 A1, 2010 ; Location in patent: Page/Page column 89 ; WO 2010/063352 A1
  • Route2

    References

    • AbbVie Inc.; Woods, Keith W.; Mastracchio, Anthony; Lai, Chunqiu; Gandhi, Viraj B.; Penning, Thomas D. Patent: US2013/225589 A1, 2013 ;
  • Route3
    • ethyl (Z)-2-(ethoxymethylene)-3-oxobutanoate|CS-0008672
      66975-53-9
    • ~%
    • In-stock
      2-(Methylthio)pyrido[4,3-d]pyrimidin-5(6H)-one|CS-0100038
      902576-09-4

    References

    • MERCK PATENT GMBH; BURGDORF, Lars; KUHN, Daniel; ROSS, Tatjana; DEUTSCH, Carl Patent: WO2014/23385 A1, 2014 ;

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   1.04
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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