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

CAS: 378746-64-6 Cat. No.: N612216 분자식: C₂₀H₂₅N₃O₄ 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Topoisomerase IV inhibitor

순수함

≥98%

제품 특성

ALogP

0.4

이름과 식별자

Pubchem Sid

528768710

정식 스마일

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

이성체 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

분자량

371.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

Homo sapiens (32628 Activities)

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관련 대상(비인간)

Streptococcus pneumoniae (31063 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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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Acinetobacter baumannii (41033 Activities)

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Enterobacteriaceae (669 Activities)

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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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Enterococcus faecalis (29875 Activities)

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Stenotrophomonas maltophilia (1743 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 분자량: 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