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CS-W001157 4
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Bredinin aglycone

  • CAS No. 56973-26-3

  • Cat. No. CS-0024727
  • Molecule weight127.10
  • Purity≥98%
  • MDL No.MFCD09753122

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

Bredinin aglycone|CS-0024727

Structure of 56973-26-3

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General Information

  • CAS No. 56973-26-3
  • Cat. No. CS-0024727
  • Purity ≥98%
  • MDL No. MFCD09753122
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₃O₂
  • Molecular Weight 127.10
  • Synonym(s) 5-Hydroxy-1H-imidazole-4-carboxamide; FF-10501
  • SMILES NC(C1=C(NC=N1)O)=O

Description

Bredinin aglycone delivers a rigid, electron-deficient core ideal for probing bioactive scaffolds in medicinal chemistry. This stable, bench-ready framework integrates readily into synthetic sequences requiring aromatic rigidity and defined polarity.

Synthesis

  • Route1
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      1131657-83-4
    • ~99%
    • In-stock
      Bredinin aglycone|CS-0024727
      56973-26-3

    References

    • MBR Co., Ltd.; Kato, Nobuo Patent: EP2196460 A1, 2010 ; Location in patent: Page/Page column 7; 8 ;
  • Route2
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      44234-35-7
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      57471-66-6
    • ~%
    • In-stock
      Bredinin aglycone|CS-0024727
      56973-26-3

    References

    • Miller, Charles S.; Gurin, Samuel; Wilson, D. Wright Journal of the American Chemical Society, 1952 , vol. 74, # 11 p. 2892 - 2894
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    References

    • Journal of Pharmacy and Pharmacology, , vol. 33, # 12 p. 808 - 811

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

Quality Control

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Computational Chemistry Data

  • TPSA   92
  • LogP   -0.7858
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   1

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