4-Acetylbutyric Acid

CAS: 3128-06-1

Ref. TR-A168440

Product Information

• Name: 4-Acetylbutyric Acid
• Synonyms: 5-Ketocaproic Acid, 5-Ketohexanoic Acid, 5-Oxocaproic Acid, 5-Oxohexanoic Acid, NSC 5281, ?-Acetylbutyric Acid, d-Ketocaproic Acid, d-Ketohexanoic Acid, d-Oxocaproic Acid, 5-Ketocaproic acid, 5-Ketohexanoic acid, 5-Ketohexanoic acid~5-Oxohexanoic acid, 5-Oxocaproic acid, Caproic acid, δ-oxo-, Hexanoic acid, 5-oxo-, Ketohexanoicacid, γ-Acetylbutyric acid, δ-Ketocaproic acid, δ-Ketohexanoic acid, δ-Oxocaproic acid
• CAS: 3128-06-1

Description

Applications 4-Acetylbutyric Acid is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of castrate-resistant prostate cancer. Also used to prepare PARP inhibitors for the treatment of cancer as well.
References Liedtke, A. et al.: J. Med. Chem., 56, 2429 (2013); Zhu, G. et al.: Bioorg. Med. Chem., 20, 4653 (2012);

• Brand: TRC

Chemical properties

• Molecular weight: 130.14
• Formula: C₆H₁₀O₃
• Color/Form: Neat
• InChI: InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
• InChI key: InChIKey=MGTZCLMLSSAXLD-UHFFFAOYSA-N
• SMILES: CC(=O)CCCC(=O)O