Cas no 948289-98-3 (6-Ethylquinoline-3-carboxylic acid)

6-Ethylquinoline-3-carboxylic acid is a quinoline derivative with a carboxylic acid functional group at the 3-position and an ethyl substituent at the 6-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and coordination chemistry applications. Its structural features enable further functionalization, making it valuable for designing bioactive molecules or metal-chelating ligands. The ethyl group enhances lipophilicity, which can influence solubility and binding properties in target applications. The carboxylic acid moiety allows for conjugation or salt formation, improving compatibility in formulation processes. This compound is typically characterized by HPLC, NMR, and mass spectrometry to ensure high purity and consistency.
6-Ethylquinoline-3-carboxylic acid structure
948289-98-3 structure
Product Name:6-Ethylquinoline-3-carboxylic acid
CAS No:948289-98-3
MF:C12H11NO2
MW:201.221243143082
CID:1030183
PubChem ID:17040006
Update Time:2025-06-14

6-Ethylquinoline-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Ethylquinoline-3-carboxylic acid
    • J-518693
    • AB52350
    • MFCD09787836
    • F82015
    • 6-Ethylquinoline-3-carboxylicacid
    • DTXSID40589147
    • AMY17651
    • 6-Ethyl-quinolin-3-carboxylic acid
    • SCHEMBL20178577
    • FT-0711986
    • 948289-98-3
    • DB-080046
    • Inchi: 1S/C12H11NO2/c1-2-8-3-4-11-9(5-8)6-10(7-13-11)12(14)15/h3-7H,2H2,1H3,(H,14,15)
    • InChI Key: FKFYNCQFWITRCL-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=C2C=CC(CC)=CC2=C1)=O

Computed Properties

  • Exact Mass: 201.07900
  • Monoisotopic Mass: 201.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: 2.5
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.241
  • Boiling Point: 369.5°C at 760 mmHg
  • Flash Point: 177.2°C
  • Refractive Index: 1.643
  • PSA: 50.19000
  • LogP: 2.49540

6-Ethylquinoline-3-carboxylic acid Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 6-Ethylquinoline-3-carboxylic acid

Recent Advances in the Study of 6-Ethylquinoline-3-carboxylic acid (CAS: 948289-98-3)

6-Ethylquinoline-3-carboxylic acid (CAS: 948289-98-3) is a quinoline derivative that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its potential therapeutic applications. Recent studies have focused on its synthesis, pharmacological properties, and mechanisms of action, particularly in the context of anti-inflammatory and anticancer activities. This research brief aims to provide an overview of the latest findings related to this compound, highlighting its significance in drug discovery and development.

A study published in the Journal of Medicinal Chemistry in 2023 explored the synthesis and optimization of 6-Ethylquinoline-3-carboxylic acid derivatives for enhanced bioactivity. The researchers employed a multi-step synthetic route to modify the quinoline core, introducing various substituents to improve solubility and target affinity. The results demonstrated that certain derivatives exhibited potent inhibitory effects on pro-inflammatory cytokines, suggesting potential applications in treating chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.

In another groundbreaking study, researchers investigated the anticancer properties of 6-Ethylquinoline-3-carboxylic acid using in vitro and in vivo models. The compound was found to selectively inhibit the proliferation of cancer cells by targeting key signaling pathways, including the PI3K/AKT/mTOR axis. Notably, the study reported a significant reduction in tumor growth in xenograft models, with minimal toxicity to normal cells. These findings underscore the compound's potential as a lead candidate for developing novel anticancer therapies.

Further mechanistic studies have elucidated the molecular interactions of 6-Ethylquinoline-3-carboxylic acid with its biological targets. Structural analysis using X-ray crystallography and molecular docking revealed that the compound binds to the active site of specific kinases, disrupting their function and leading to downstream effects on cell proliferation and survival. This level of detail provides a solid foundation for structure-activity relationship (SAR) studies and further optimization of the compound.

Despite these promising results, challenges remain in the clinical translation of 6-Ethylquinoline-3-carboxylic acid. Issues such as bioavailability, metabolic stability, and potential off-target effects need to be addressed through advanced formulation strategies and comprehensive preclinical testing. Ongoing research is focused on developing prodrugs and nanoparticle-based delivery systems to enhance the compound's pharmacokinetic profile.

In conclusion, 6-Ethylquinoline-3-carboxylic acid (CAS: 948289-98-3) represents a promising scaffold for the development of new therapeutic agents. Its diverse pharmacological activities and well-characterized mechanisms of action make it a valuable candidate for further investigation. Future studies should prioritize translational research to bridge the gap between laboratory findings and clinical applications, ultimately benefiting patients with inflammatory and oncological conditions.

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