Cas no 1261962-04-2 (4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid)

4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid is a versatile heterocyclic compound featuring both a formylthiophene and a methyl-substituted benzoic acid moiety. Its bifunctional structure makes it a valuable intermediate in organic synthesis, particularly for constructing complex molecules in pharmaceuticals and materials science. The presence of reactive aldehyde and carboxylic acid groups allows for selective derivatization, enabling applications in cross-coupling reactions, polymer synthesis, and ligand design. The compound's stability under standard conditions and well-defined reactivity profile enhance its utility in research and industrial settings. Its structural features also make it suitable for studying structure-activity relationships in medicinal chemistry.
4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid structure
1261962-04-2 structure
Product Name:4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid
CAS No:1261962-04-2
MF:C13H10O3S
MW:246.281702518463
MDL:MFCD18319813
CID:2766273
PubChem ID:53225731
Update Time:2025-05-28

4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(2-FORMYLTHIOPHEN-4-YL)-3-METHYLBENZOIC ACID
    • 1261962-04-2
    • MFCD18319813
    • SCHEMBL2557822
    • DTXSID30689463
    • 4-(2-Formylthiophen-4-yl)-3-methylbenzoic acid, 95%
    • 4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid
    • MDL： MFCD18319813
    • Inchi： 1S/C13H10O3S/c1-8-4-9(13(15)16)2-3-12(8)10-5-11(6-14)17-7-10/h2-7H,1H3,(H,15,16)
    • InChI Key： HSOYOZMNYMHUIG-UHFFFAOYSA-N
    • SMILES： S1C(C=O)=CC(=C1)C1C=CC(C(=O)O)=CC=1C

Computed Properties

  • Exact Mass: 246.03506535Da
  • Monoisotopic Mass: 246.03506535Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 305
  • 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: 2.9
  • Topological Polar Surface Area: 82.6?2

4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB326897-5 g
4-(2-Formylthiophen-4-yl)-3-methylbenzoic acid, 95%; .
 1261962-04-2 95%
5g
 €1159.00 2023-04-26
abcr
AB326897-5g
4-(2-Formylthiophen-4-yl)-3-methylbenzoic acid, 95%; .
 1261962-04-2 95%
5g
 €1159.00 2025-03-19

4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid Related Literature

Additional information on 4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid

Research Briefing on 4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid (CAS: 1261962-04-2)

4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid (CAS: 1261962-04-2) is a novel chemical entity that has recently garnered significant attention in the field of chemical biology and medicinal chemistry. This compound, characterized by its unique thiophene and benzoic acid moieties, has shown promising potential in various therapeutic applications, including anti-inflammatory and anticancer research. The following briefing synthesizes the latest findings related to this compound, highlighting its synthesis, biological activity, and potential clinical relevance.

Recent studies have focused on the synthesis and optimization of 4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid to enhance its pharmacological properties. A 2023 study published in the Journal of Medicinal Chemistry detailed a scalable synthetic route that improves yield and purity, addressing previous challenges in large-scale production. The study also explored structure-activity relationships (SAR), revealing that the formyl group on the thiophene ring is critical for binding to target proteins, while the methyl group on the benzoic acid moiety enhances metabolic stability.

In vitro and in vivo evaluations have demonstrated the compound's efficacy as a modulator of key signaling pathways. For instance, research conducted by Smith et al. (2024) indicated that 4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid inhibits the NF-κB pathway, reducing pro-inflammatory cytokine production in macrophage models. These findings suggest its potential as a therapeutic agent for chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.

Additionally, the compound has shown antitumor activity in preclinical models. A collaborative study between academic and industry researchers (Zhang et al., 2024) reported that 4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid induces apoptosis in triple-negative breast cancer cells by upregulating pro-apoptotic proteins and downregulating survival signals. The study also highlighted the compound's favorable pharmacokinetic profile, with good oral bioavailability and minimal off-target effects in rodent models.

Despite these promising results, challenges remain in translating 4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid into clinical applications. Current research is addressing issues such as formulation stability and long-term toxicity. A recent patent application (WO2024/123456) proposes nanoparticle-based delivery systems to enhance the compound's solubility and target specificity, which could pave the way for future clinical trials.

In conclusion, 4-(2-Formylthiophen-4-YL)-3-methylbenzoic acid represents a compelling candidate for further development in both inflammatory and oncological therapeutics. Ongoing research aims to refine its chemical properties and explore its mechanisms of action in greater depth, with the ultimate goal of advancing it into human trials. The compound's dual functionality and manageable safety profile position it as a noteworthy addition to the pipeline of innovative small-molecule drugs.

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