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CS-W001157 4
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IC 86621

  • CAS No. 404009-40-1

  • Cat. No. CS-0020028
  • Purity≥98%
  • MDL No.MFCD07370140

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

IC 86621|CS-0020028

Structure of 404009-40-1

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General Information

  • CAS No. 404009-40-1
  • Cat. No. CS-0020028
  • Purity ≥98%
  • MDL No. MFCD07370140
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₃
  • Molecular Weight None
  • Synonym(s) None
  • SMILES CC(C1=CC=C(N2CCOCC2)C=C1O)=O

Application

DNA-PK Inhibitor III (CAS 404009-40-1) drives targeted kinase inhibition studies by selectively disrupting DNA-dependent protein kinase activity in cellular repair pathways. It blocks double-strand break repair mechanisms. Researchers leverage this specificity to enhance radiosensitization in cancer models, validate synthetic routes for novel therapeutics, and refine analytical quantification methods in complex biological matrices.

Synthesis

  • Route1
    • 2-Hydroxy-4-(morpholin-4-yl)benzaldehyde|CS-0071285
      70362-07-1
    • ~25%
    • IC 86621|CS-0020028
      404009-40-1

    References

    • Halbrook, James; Kesicki, Edward A.; Burgess, Laurence E.; Schlachter, Stephen T.; Eary, Charles T.; Schiro, Justin G; Huang, Hongmei; Evans, Michael; Han, Yongxin Patent: US2002/165218 A1, 2002 ; US 20020165218 A1
  • Route2
    • null|null
      917-54-4
    • 2-Hydroxy-4-(morpholin-4-yl)benzaldehyde|CS-0071285
      70362-07-1
    • ~17%
    • IC 86621|CS-0020028
      404009-40-1

    References

    • Knight, Zachary A.; Chiang, Gary G.; Alaimo, Peter J.; Kenski, Denise M.; Ho, Caroline B.; Coan, Kristin; Abraham, Robert T.; Shokat, Kevan M. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 17 p. 4749 - 4759
  • Route3

    References

    • Knight, Zachary A.; Chiang, Gary G.; Alaimo, Peter J.; Kenski, Denise M.; Ho, Caroline B.; Coan, Kristin; Abraham, Robert T.; Shokat, Kevan M. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 17 p. 4749 - 4759

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   1.4314
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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