Cas no 77953-17-4 (4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid)

4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid is a specialized organic compound featuring a ketone-functionalized butanoic acid backbone with phenyl substituents. Its structural complexity, including dual carbonyl groups and aromatic moieties, makes it a valuable intermediate in synthetic organic chemistry, particularly for constructing pharmacologically active molecules or fine chemicals. The compound’s reactivity at the β-keto acid and α-position allows for versatile derivatization, enabling applications in heterocyclic synthesis or as a precursor for chiral building blocks. Its well-defined molecular architecture ensures consistent performance in multi-step reactions, while its purity and stability support reproducible results in research and industrial settings.
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid structure
77953-17-4 structure
Product Name:4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
CAS No:77953-17-4
MF:C18H16O4
MW:296.317245483398
CID:3061943
PubChem ID:786884
Update Time:2025-06-09

4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
    • HMS2392A13
    • CHEMBL1464568
    • Oprea1_455763
    • SR-01000197161-1
    • SR-01000197161
    • 77953-17-4
    • AE-018/31860054
    • STL321512
    • SMR000102368
    • MLS000105487
    • Bis(phenacyl)acetic acid
    • 661-382-8
    • 4-oxo-2-phenacyl-4-phenylbutanoic acid
    • AKOS022139758
    • diphenacylacetic acid
    • Inchi: 1S/C18H16O4/c19-16(13-7-3-1-4-8-13)11-15(18(21)22)12-17(20)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,21,22)
    • InChI Key: YSXGPYZKEDCAMT-UHFFFAOYSA-N
    • SMILES: OC(C(CC(C1C=CC=CC=1)=O)CC(C1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 296.10485899Da
  • Monoisotopic Mass: 296.10485899Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 371
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 71.4?2

4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
Y1263699-1g
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
77953-17-4 95%
1g
$420 2024-06-05
eNovation Chemicals LLC
Y1263699-5g
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
77953-17-4 95%
5g
$1440 2024-06-05
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1645027-1g
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
77953-17-4 98%
1g
¥2620.00 2024-07-28
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1645027-5g
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
77953-17-4 98%
5g
¥8467.00 2024-07-28
eNovation Chemicals LLC
Y1263699-250mg
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
77953-17-4 95%
250mg
$235 2024-06-05
eNovation Chemicals LLC
Y1263699-250mg
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
77953-17-4 95%
250mg
$245 2025-02-19
eNovation Chemicals LLC
Y1263699-1g
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
77953-17-4 95%
1g
$440 2025-02-19
eNovation Chemicals LLC
Y1263699-5g
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
77953-17-4 95%
5g
$1525 2025-02-19
1PlusChem
1P01EXUG-250mg
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
77953-17-4 95%
250mg
$120.00 2023-12-16
1PlusChem
1P01EXUG-1g
4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid
77953-17-4 95%
1g
$247.00 2023-12-16

Additional information on 4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid

4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic Acid: A Comprehensive Overview

4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid (CAS No. 77953-17-4) is a complex organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, often referred to by its CAS number 77953-17-4, is characterized by its unique molecular structure, which includes a ketone group, a carboxylic acid group, and phenyl substituents. These structural features contribute to its diverse biological activities and potential therapeutic applications.

The molecular formula of 4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid is C18H16O4, and its molecular weight is approximately 300.31 g/mol. The compound's chemical structure can be represented as follows:

Structure of 4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid

In recent years, extensive research has been conducted to explore the biological properties and potential therapeutic applications of 4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid. One of the key areas of interest is its anti-inflammatory activity. Studies have shown that this compound exhibits significant anti-inflammatory effects by inhibiting the production of pro-inflammatory cytokines such as TNF-alpha and IL-6. This property makes it a promising candidate for the development of new anti-inflammatory drugs.

Additionally, 4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid has been investigated for its potential as an anticancer agent. Research has demonstrated that it can induce apoptosis in various cancer cell lines, including breast cancer, lung cancer, and colon cancer cells. The mechanism of action involves the modulation of signaling pathways such as the PI3K/AKT pathway and the MAPK pathway, which are crucial for cell survival and proliferation.

Beyond its anti-inflammatory and anticancer properties, 4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid has also shown promise in neuroprotective studies. Preclinical studies have indicated that this compound can protect neurons from oxidative stress and neurotoxicity, making it a potential candidate for the treatment of neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease.

The synthesis of 4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid has been optimized through various methods, including classical organic synthesis routes and more modern techniques such as microwave-assisted synthesis. These advancements have improved the yield and purity of the compound, making it more accessible for further research and development.

In terms of pharmacokinetics, studies have shown that 4-Oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid has favorable absorption, distribution, metabolism, and excretion (ADME) properties. It is rapidly absorbed in the gastrointestinal tract and has a moderate half-life in vivo, which suggests its potential for oral administration in therapeutic settings.

Clinical trials are currently underway to evaluate the safety and efficacy of 4-Oxo-2-(2-oxyo-o-phehylethyl)-4-phehnylbutanoic acid in various disease conditions. Preliminary results from phase I trials have shown that the compound is well-tolerated with minimal side effects, paving the way for more advanced clinical studies.

In conclusion, 4-Oxo-oxyo-o-phehylethyl)-4-phehnylbutanoic acid (CAS No. 77953-o7-o) is a multifaceted compound with a wide range of biological activities and potential therapeutic applications. Its unique chemical structure and favorable pharmacological properties make it an attractive candidate for further research and development in the fields of medicinal chemistry and pharmaceutical science.

Recommended suppliers
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.