Merafloxacin - ≥98% , CAS No.91188-00-0

CAS: 91188-00-0 Cat. No.: M651146 Fórmula: C₁₉H₂₃F₂N₃O₃ Peso molecular: 379.40 PubChem CID: 121833

GRADE & PURITY ≥98%

Synonyms

CI-934 | NCGC00263138-01 | J-517971 | 1-Ethyl-7-(3-((ethylamino)methyl)pyrrolidin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1-Ethyl-7-[3-[(ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1, 4-dihydro-4-oxo-3-quinolinecarboxylic aci

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Merafloxacin (CI-934), a fluoroquinolone antibacterial agent, is a selective programmed -1 ribosomal frameshifting (-1 PRF) inhibitor of beta coronaviruses . Merafloxacin exhibits in vitro activity against gram-positive and gram-negative bacteria

In Vitro

Merafloxacin (5-80 μM) dose-dependently inhibits programmed -1 ribosomal frameshifting (-1 PRF) of SARS-CoV-2, SARS-CoV, hCoVO-C43, and hCoV-HKU1, with IC 50 s of 19.6 μM, 19.5 μM, 29.7 μM, and 38.6 μM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 19.6 μM (SARS-CoV-2)

Specifications

Sinónimos

CI-934 | NCGC00263138-01 | J-517971 | 1-Ethyl-7-(3-((ethylamino)methyl)pyrrolidin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1-Ethyl-7-[3-[(ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1, 4-dihydro-4-oxo-3-quinolinecarboxylic aci

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Merafloxacin (CI-934), a fluoroquinolone antibacterial agent, is a selective programmed -1 ribosomal frameshifting (-1 PRF) inhibitor of beta coronaviruses . Merafloxacin exhibits in vitro activity against gram-positive and gram-negative bacteria

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC)F

IUPAC Name

1-ethyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

InChIKey

BAYYCLWCHFVRLV-UHFFFAOYSA-N

INCHI

1S/C19H23F2N3O3/c1-3-22-8-11-5-6-24(9-11)17-14(20)7-12-16(15(17)21)23(4-2)10-13(18(12)25)19(26)27/h7,10-11,22H,3-6,8-9H2,1-2H3,(H,26,27)

SMILES isoméricas

CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC)F

CAS alternativo

110013-21-3,91188-00-0

PubChem CID

121833

Termos de entrada MeSH

1-ethyl-7-(3-((ethylamino)methyl)-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid;CI 934;CI-934

Peso molecular

379.40

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Fluoroquinolones Haloquinolines Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Aryl fluorides Benzenoids Heteroaromatic compounds Vinylogous amides Pyrrolidines Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Aryl fluoride - Pyridine - Aryl halide - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (humanos)

MCF7 (126967 Activities)

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Alvos associados (não humanos)

gyrB DNA gyrase subunit B (290 Activities)

Discover Target: gyrB

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Streptococcus pneumoniae (31063 Activities)

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Bacteria (550 Activities)

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Pseudomonas (460 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Enterobacter cloacae (7976 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Providencia rettgeri (925 Activities)

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Staphylococcus aureus (210822 Activities)

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Enterobacter (462 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus pyogenes (16140 Activities)

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Enterococcus faecalis (29875 Activities)

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Mus musculus (284745 Activities)

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V79 (1637 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 11.11 mg/mL (29.28 mM; ultrasonic and adjust pH to 3 with HCl)
• Peso molecular: 379.400 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 379.171 Da
• Monoisotopic Mass: 379.171 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 615.000
• 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

Perguntas frequentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 91188-00-0, the molecular formula is C19H23F2N3O3, and the molecular weight is 379.40 g/mol. InChIKey BAYYCLWCHFVRLV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.