Balofloxacin - ≥98% , CAS No.127294-70-6

CAS: 127294-70-6 Cat. No.: B129359 Peso molecular: 389.42 Beilstein Registry Number: 8362117

GRADE & PURITY ≥98%

Synonyms

Q 35 | (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic acid | 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxo-quinoline-3-carboxylic acid | CAS-127294-70-6 | s2064 | 1-Cycl

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Balofloxacin is quinolone antibiotic, inhibiting the synthesis of bacterial DNA by interference with the enqyme DNA gyrase.

Specifications

Sinónimos

Q 35 | (+-)-1-Cyclopropyl-6-fluoro-1, 4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic acid | 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxo-quinoline-3-carboxylic acid | CAS-127294-70-6 | s2064 | 1-Cycl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
• IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
• InChIKey: MGQLHRYJBWGORO-UHFFFAOYSA-N
• INCHI: 1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
• Isómeros SMILES: CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
• Peso molecular: 389.42
• Beilstein: 8362117
• Reaxy-Rn: 8362117
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8362117&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Fluoroquinolones Aminoquinolines and derivatives Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Methoxyanilines Dialkylarylamines Anisoles Alkyl aryl ethers Aminopiperidines Aryl fluorides Heteroaromatic compounds Vinylogous amides Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organofluorides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Methoxyaniline - Pyridine carboxylic acid or derivatives - Anisole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - 3-aminopiperidine - Aryl fluoride - Aryl halide - Piperidine - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Mycolicibacterium phlei (631 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Plasmodium falciparum (966862 Activities)

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Vero (26788 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: H2O:<0.1 mg/mL (insoluble); DMSO: 0.67 mg/mL (1.72 mM; ultrasound required)
• Sensibilidad: Heat, light sensitive
• Punto de fusión (°C): 137℃
• Peso molecular: 389.400 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 389.175 Da
• Monoisotopic Mass: 389.175 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 668.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Jia-Yu Zeng, Yu-Qi Liang, Yan-Ni Wu, Xiao-Yi Wu, Jia-Ping Lai, Hui Sun.  (2022)  Synthesis and application of novel N, Si-carbon dots for the ratiometric fluorescent monitoring of the antibiotic balofloxacin in tablets and serum.  RSC Advances,  12  (45): (29585-29594).  [PMID:36320748] [10.1039/D2RA02932D]

2. Fan Zhang, Xiangsheng Han, Chuanlong Guo, Hui Yang, Jun Wang, Xiaochen Wu.  (2020)  Fibrous aramid hydrogel supported antibacterial agents for accelerating bacterial-infected wound healing.  Materials Science & Engineering C-Materials for Biological Applications,      [PMID:33579471] [10.1016/j.msec.2020.111833]

3. Suyu Ren, Jing Tao, Feng Tan, Ying Cui, Xiaona Li, Jingwen Chen, Xin He, Yi Wang.  (2018)  Diffusive gradients in thin films based on MOF-derived porous carbon binding gel for in-situ measurement of antibiotics in waters.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:30029123] [10.1016/j.scitotenv.2018.07.013]

4. Hu Xu, Xin Chen, Yujuan Jia, Xinran Gao, Shuaihang Guo, Dongxu Jia, Yanxia Zhang, Qian Yu.  (2025)  A trifunctional coating for biofilm prevention: integrating antifouling, photothermal killing, and quorum sensing interference.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40795591] [10.1016/j.jcis.2025.138628]