nemonoxacin - Moligand™, ≥98% , Topoisomerase IV inhibitor, CAS No.378746-64-6, Topoisomerase IV inhibitor

CAS: 378746-64-6 Cat. No.: N612216 分子式: C₂₀H₂₅N₃O₄ 分子量: 371.4 PubChem CID: 11993740

GRADE & PURITY Moligand™, ≥98%

Synonyms

CHEBI:136053 | SCHEMBL1006373 | TQP0855 | MS-25985 | DTXSID10958907 | Nemonoxacin [INN] | taigexyn | TG 873870 | 7-((3S,5S)-3-amino-5-methylpiperidin-1-yl)-1-cyclopropyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 7-[(3S,5S)-3-Amino-5-methylp

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Nemonoxacin (TG-873870) is a potent broad-spectrum antibiotic. Nemonoxacin shows good inhibitory activity against different species of staphylococci, streptococci, and enterococci, Neisseria gonorrhoeae, and Haemophilus influenza. Nemonoxacin can be used in the study of bacterial infections and community-acquired pneumonia.

Specifications

同義語

CHEBI:136053 | SCHEMBL1006373 | TQP0855 | MS-25985 | DTXSID10958907 | Nemonoxacin [INN] | taigexyn | TG 873870 | 7-((3S,5S)-3-amino-5-methylpiperidin-1-yl)-1-cyclopropyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 7-[(3S,5S)-3-Amino-5-methylp

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Topoisomerase IV inhibitor

純度

≥98%

製品の性質

ALogP

0.4

名前と識別子

パブケム・シド

528768710

カノニカル・スマイル

COc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)N1C[C@@H](C)C[C@@H](C1)N

IUPAC Name

7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid

InChIKey

AVPQPGFLVZTJOR-RYUDHWBXSA-N

INCHI

1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1

異性体SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N

PubChem CID

11993740

分子量

371.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Methoxyanilines Dialkylarylamines Anisoles Alkyl aryl ethers Aminopiperidines Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Aminoquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methoxyaniline - Anisole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 3-aminopiperidine - Alkyl aryl ether - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid - Ether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organopnictogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 説明: 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

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Escherichia coli (133304 Activities)

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Klebsiella oxytoca (929 Activities)

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Proteus mirabilis (3894 Activities)

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Enterococcus faecium (13803 Activities)

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Stenotrophomonas maltophilia (1743 Activities)

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作用メカニズム

化学的性質と物理的性質

• 分子量: 371.400 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 371.185 Da
• Monoisotopic Mass: 371.185 Da
• Topological Polar Surface Area: 96.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 647.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1