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CS-W001157 4
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HDAC4 ligand-2

  • CAS No. 340736-76-7

  • Cat. No. CS-0097932
  • Molecule weight258.15
  • Purity≥97%
  • MDL No.MFCD16659622

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

HDAC4 ligand-2|CS-0097932

Structure of 340736-76-7

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General Information

  • CAS No. 340736-76-7
  • Cat. No. CS-0097932
  • Purity ≥97%
  • MDL No. MFCD16659622
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅F₃N₂O₃
  • Molecular Weight 258.15
  • Synonym(s) None
  • SMILES O=C(C1=CC=C(C=C1)C2=NOC(C(F)(F)F)=N2)O

Description

This trifluoromethyl-substituted oxadiazole-carboxylic acid integrates a polar, electron-deficient heterocycle with a benzoic acid handle, enabling direct conjugation in bioconjugation and medicinal chemistry. The robust oxadiazole ring enhances metabolic stability while the para-carboxylate supports derivatization under standard coupling conditions.

Application

4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid serves as a versatile building block for bioactive heterocycles, enabling efficient access to pharmacologically relevant scaffolds. The trifluoromethyl oxadiazole moiety imparts enhanced metabolic stability and lipophilicity, while the carboxylic acid group facilitates direct coupling reactions or derivatization. Its bench-stable nature and compatibility with standard peptide and cross-coupling protocols make it ideal for medicinal chemistry campaigns targeting CNS and oncology applications.

Synthesis

  • Route1
    • 4-[(Z)-Amino(hydroxyimino)methyl]benzoic acid|CS-0212716
      23610-05-1
    • null|null
      407-25-0
    • ~75%
    • In-stock
      HDAC4 ligand-2|CS-0097932
      340736-76-7

    References

    • NOVARTIS AG; HEBACH, Christina; JOLY, Emilie; KALLEN, Joerg; TERNOIS, James Gilbert; TINTELNOT-BLOMLEY, Marina Patent: WO2013/8162 A1, 2013 ; Location in patent: Page/Page column 63 ;
  • Route2
    • Methyl 4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoate|CS-0663109
      340736-74-5
    • ~%
    • In-stock
      HDAC4 ligand-2|CS-0097932
      340736-76-7

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 49, # 3 p. 268 - 277
  • Route3
    • null|null
      407-25-0
    • 4-[(Z)-Amino(hydroxyimino)methyl]benzoic acid|CS-0212716
      23610-05-1
    • ~54%
    • In-stock
      HDAC4 ligand-2|CS-0097932
      340736-76-7

    References

    • Liu, Kun; Lu, Hong; Hou, Ling; Qi, Zhi; Teixeira, Catia; Barbault, Florent; Fan, Bo-Tao; Liu, Shuwen; Jiang, Shibo; Xie, Lan Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 7843 - 7854

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   76.22
  • LogP   2.4536
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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