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CS-W001157 4
Total: USD 88.00

CRT0044876

  • CAS No. 6960-45-8

  • Cat. No. CS-W015338
  • Purity≥98%
  • MDL No.MFCD00044720

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

CRT0044876|CS-W015338

Structure of 6960-45-8

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General Information

  • CAS No. 6960-45-8
  • Cat. No. CS-W015338
  • Purity ≥98%
  • MDL No. MFCD00044720
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₄
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C(C(N1)=CC2=C1C([N+]([O-])=O)=CC=C2)O

Description

Inhibiting APE1 endonuclease activity with submicromolar precision, CRT0044876 (CAS 6960-45-8) disrupts DNA repair in cancer models and induces synthetic lethality in BRCA-deficient cells.

Synthesis

  • Route1

    References

    • Purzer Pharmaceutical Co., Ltd. Patent: EP2366687 A2, 2011 ; Location in patent: Page/Page column 8; 10 ;
  • Route2
    • Methyl 7-nitro-1H-indole-2-carboxylate|CS-0570541
      167027-28-3
    • ~96%
    • In-stock
      CRT0044876|CS-W015338
      6960-45-8

    References

    • LG Life Sciences Ltd. Patent: US2010/210647 A1, 2010 ; Location in patent: Page/Page column 24 ;
  • Route3
    • null|null
      292853-66-8
    • ~%
    • In-stock
      CRT0044876|CS-W015338
      6960-45-8

    References

    • Journal of the American Chemical Society, , vol. 80, p. 4621

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS08
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319-H334
Precautionary Statements : P261-P264-P280-P284-P304+P340-P501

Quality Control

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Computational Chemistry Data

  • TPSA   96.23
  • LogP   1.7743
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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