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CS-W001157 4
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DAO-IN-1

  • CAS No. 51856-25-8

  • Cat. No. CS-0093690
  • Purity≥97%
  • MDL No.MFCD02664526

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

DAO-IN-1|CS-0093690

Structure of 51856-25-8

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General Information

  • CAS No. 51856-25-8
  • Cat. No. CS-0093690
  • Purity ≥97%
  • MDL No. MFCD02664526
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₂S
  • Molecular Weight 167.19
  • Synonym(s) None
  • SMILES O=C(C1=CC(C=CS2)=C2N1)O

Description

DAO-IN-1 is a potent, selective inhibitor of the enzyme D-amino acid oxidase (DAO), designed to modulate D-amino acid metabolism in neurological and metabolic research. This compound exhibits high specificity and stability under physiological conditions, enabling precise interrogation of DAO-dependent pathways in cellular and in vivo models.

Application

DAO-IN-1 serves as a potent and selective inhibitor of dimethylarginine dimoxygenase (DDO), enabling targeted modulation of asymmetric dimethylarginine (ADMA) levels in biological systems. Its well-defined structure facilitates reliable use in biochemical assays and cellular studies, supporting research into nitric oxide pathway regulation. The compound exhibits favorable bench stability and compatibility with standard purification methods, making it a practical tool for mechanistic investigations in vascular biology and metabolic disease research.

Synthesis

  • Route1

    References

    • Keio University Patent: EP2022794 A1, 2009 ; Location in patent: Page/Page column 18; 19 ;
  • Route2

    References

    • Venable, Jennifer D.; Cai, Hui; Chai, Wenying; Dvorak, Curt A.; Grice, Cheryl A.; Jablonowski, Jill A.; Shah, Chandra R.; Kwok, Annette K.; Ly, Kiev S.; Pio, Barbara; Wei, Jianmei; Desai, Pragnya J.; Jiang, Wen; Nguyen, Steven; Ling, Ping; Wilson, Sandy J.; Dunford, Paul J.; Thurmond, Robin L.; Lovenberg, Timothy W.; Karlsson, Lars; Carruthers, Nicholas I.; Edwards, James P. Journal of Medicinal Chemistry, 2005 , vol. 48, # 26 p. 8289 - 8298
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    • In-stock
      DAO-IN-1|CS-0093690
      51856-25-8

    References

    • Venable, Jennifer D.; Cai, Hui; Chai, Wenying; Dvorak, Curt A.; Grice, Cheryl A.; Jablonowski, Jill A.; Shah, Chandra R.; Kwok, Annette K.; Ly, Kiev S.; Pio, Barbara; Wei, Jianmei; Desai, Pragnya J.; Jiang, Wen; Nguyen, Steven; Ling, Ping; Wilson, Sandy J.; Dunford, Paul J.; Thurmond, Robin L.; Lovenberg, Timothy W.; Karlsson, Lars; Carruthers, Nicholas I.; Edwards, James P. Journal of Medicinal Chemistry, 2005 , vol. 48, # 26 p. 8289 - 8298

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-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   1.9276
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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