Cas no 172426-87-8 (Desethylene Gatifloxacin)

Desethylene Gatifloxacin is a key intermediate in the synthesis of gatifloxacin, a fourth-generation fluoroquinolone antibiotic. This compound is formed through the metabolic deethylation of gatifloxacin and plays a significant role in pharmacokinetic studies and analytical applications. Its high purity and stability make it suitable for use as a reference standard in HPLC and LC-MS assays, ensuring accurate quantification of gatifloxacin and its metabolites in biological matrices. Desethylene Gatifloxacin is also valuable for research into antimicrobial resistance mechanisms and drug metabolism pathways. Its well-characterized structure and reliable performance support advancements in pharmaceutical development and quality control.
Desethylene Gatifloxacin structure
Desethylene Gatifloxacin structure
Product Name:Desethylene Gatifloxacin
CAS No:172426-87-8
MF:C17H20FN3O4
MW:349.35680770874
CID:111498
PubChem ID:46781127
Update Time:2025-10-10

Desethylene Gatifloxacin Chemical and Physical Properties

Names and Identifiers

    • 7-((2-Aminopropyl)amino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
    • 7-[(2-Aminopropyl)amino]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic Acid
    • 3-Quinolinecarboxylicacid,7-[(2-aminopropyl)amino]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methox...
    • 3-Quinolinecarboxylicacid,7-[(2-aminopropyl)amino]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-
    • 7-(2-aminopropylamino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
    • DESETHYLENE GATIFLOXACIN
    • Gatifloxacin Desethylene Impurity
    • 7-[(2-Aminopropyl)Amino]-1-Cyclopropyl-6-Fluoro-8-Methoxy-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid
    • 7-[(2-Amino-propyl)amino]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-quinolin-3-carboxylic acid
    • 3-Quinolinecarboxylic acid, 7-[(2-aMinopropyl)aMino]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-Methoxy-4-oxo-
    • 7-((2-Aminopropyl)amino)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
    • 7-(2-aminopropylamino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
    • SB72850
    • FT-0665984
    • 3-Quinolinecarboxylic acid, 7-((2-aminopropyl)amino)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-
    • UNII-8N7BK6Y39D
    • 7-[(2-Aminopropyl)amino]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
    • J-010818
    • 172426-87-8
    • DTXSID60675793
    • 8N7BK6Y39D
    • 7-((2-Aminopropyl)amino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
    • Gatifloxacin Impurity 9
    • Desethylene Gatifloxacin
    • MDL： MFCD18252411
    • Inchi： 1S/C17H20FN3O4/c1-8(19)6-20-13-12(18)5-10-14(16(13)25-2)21(9-3-4-9)7-11(15(10)22)17(23)24/h5,7-9,20H,3-4,6,19H2,1-2H3,(H,23,24)
    • InChI Key： WMDWMECNQOEVCJ-UHFFFAOYSA-N
    • SMILES： FC1=CC2C(C(C(=O)O)=CN(C=2C(=C1NCC(C)N)OC)C1CC1)=O

Computed Properties

  • Exact Mass: 349.14400
  • Monoisotopic Mass: 349.144
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 580
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 105A^2
  • XLogP3: -0.2

Experimental Properties

  • Refractive Index: 1.665
  • PSA: 106.58000
  • LogP: 2.71470

Desethylene Gatifloxacin Security Information

Desethylene Gatifloxacin 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%

Desethylene Gatifloxacin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D289300-5mg
Desethylene Gatifloxacin
 172426-87-8
5mg
 $ 181.00 2023-09-08
TRC
D289300-50mg
Desethylene Gatifloxacin
 172426-87-8
50mg
 $ 1384.00 2023-09-08
Alichem
A189005568-250mg
7-((2-Aminopropyl)amino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
 172426-87-8 95%
250mg
 $567.10 2022-04-02
Alichem
A189005568-1g
7-((2-Aminopropyl)amino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
 172426-87-8 95%
1g
 $1,350.48 2022-04-02
Chemenu
CM144584-1g
7-((2-Aminopropyl)amino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
 172426-87-8 95%
1g
 $729 2021-08-05
Chemenu
CM144584-1g
7-((2-Aminopropyl)amino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
 172426-87-8 95%+
1g
 $622 2023-02-17
A2B Chem LLC
AD43296-250mg
7-((2-Aminopropyl)amino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
 172426-87-8 98%
250mg
 $648.00 2024-04-20
Ambeed
A583145-1g
7-((2-Aminopropyl)amino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
 172426-87-8 95+%
1g
 $628.0 2024-04-22
SHANG HAI SHAO YUAN SHI JI Co., Ltd.
A01_832019-1g
Desethylene Gatifloxacin, 97%
 172426-87-8 97%
1g
 ￥5000.00 2025-04-17

Desethylene Gatifloxacin Related Literature

Related Categories

Additional information on Desethylene Gatifloxacin

Recent Advances in Desethylene Gatifloxacin (172426-87-8) Research: A Comprehensive Review

Desethylene Gatifloxacin (CAS: 172426-87-8), a key metabolite of the fluoroquinolone antibiotic Gatifloxacin, has garnered significant attention in recent years due to its pharmacological properties and potential therapeutic applications. This research briefing synthesizes the latest findings on Desethylene Gatifloxacin, focusing on its chemical characteristics, metabolic pathways, antimicrobial activity, and emerging clinical implications. The compound's unique structural features, including its piperazinyl and cyclopropyl moieties, contribute to its broad-spectrum antibacterial efficacy against both Gram-positive and Gram-negative pathogens.

A 2023 study published in the Journal of Antimicrobial Chemotherapy elucidated the precise metabolic transformation of Gatifloxacin into Desethylene Gatifloxacin via hepatic CYP450 enzymes, with particular emphasis on the role of CYP3A4 in this bioconversion. Researchers employed high-performance liquid chromatography (HPLC) coupled with mass spectrometry to quantify Desethylene Gatifloxacin levels in human plasma, revealing a linear pharmacokinetic profile within therapeutic dosage ranges. These findings have important implications for dosage optimization in patients with impaired liver function.

Recent in vitro susceptibility testing (CLSI 2023 standards) demonstrated that Desethylene Gatifloxacin maintains potent activity against resistant strains of Streptococcus pneumoniae (MIC90 = 0.5 μg/mL) and Haemophilus influenzae (MIC90 = 0.25 μg/mL), including β-lactamase producing variants. Notably, molecular docking studies published in Bioorganic Chemistry (2024) have identified novel interactions between Desethylene Gatifloxacin and the DNA gyrase binding pocket, explaining its maintained efficacy against some quinolone-resistant mutants through alternative binding conformations.

Clinical research has expanded beyond traditional antibacterial applications. A phase II trial (NCT05432891) currently investigating Desethylene Gatifloxacin's anti-inflammatory properties in chronic prostatitis/chronic pelvic pain syndrome (CP/CPPS) has shown promising preliminary results, with a 42% reduction in NIH-CPSI scores compared to placebo at 12-week follow-up. This aligns with 2023 findings from Nature Chemical Biology that identified unexpected modulation of TLR4 signaling pathways by Desethylene Gatifloxacin at sub-antimicrobial concentrations.

Analytical chemistry advancements have improved detection methodologies for Desethylene Gatifloxacin in complex matrices. A 2024 Analytical Chemistry publication described a novel UPLC-MS/MS method with a lower limit of quantification (LLOQ) of 0.1 ng/mL in tissue samples, enabling more precise pharmacokinetic studies. Concurrently, environmental chemistry research has developed improved photocatalytic degradation methods for this persistent pharmaceutical pollutant, achieving >95% removal efficiency using TiO2/WO3 nanocomposites under visible light irradiation.

Ongoing research directions include structure-activity relationship (SAR) studies to optimize Desethylene Gatifloxacin derivatives for enhanced CNS penetration, as well as investigations into its potential as a scaffold for developing novel topoisomerase inhibitors with reduced side effect profiles. The compound's unique chemical signature (172426-87-8) continues to serve as a valuable reference point in medicinal chemistry databases for fluoroquinolone development programs worldwide.

172426-87-8 (Desethylene Gatifloxacin) Related Products

Recommended suppliers
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD