Cefquinome - ≥98% , CAS No.84957-30-2

CAS: 84957-30-2 Cat. No.: C350908 Molecular Weight: 528.6 EC Number: 690-053-1 PubChem CID: 5464355

GRADE & PURITY ≥98%

Synonyms

AKOS025402360 | Cefquinomum [INN-Latin] | Cefquinoma [INN-Spanish] | CEFQUINOME [MI] | D07652 | Cobactan | DTXSID00894103 | QUINOLINIUM, 1-((7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHY

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS025402360 | Cefquinomum [INN-Latin] | Cefquinoma [INN-Spanish] | CEFQUINOME [MI] | D07652 | Cobactan | DTXSID00894103 | QUINOLINIUM, 1-((7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHY

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)[O-]
• IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• InChIKey: YWKJNRNSJKEFMK-PQFQYKRASA-N
• INCHI: 1S/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33)/b27-16-/t17-,21-/m1/s1
• Isomeric SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)[O-]
• PubChem CID: 5464355
• Molecular Weight: 528.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactams
      • Subclass Beta lactams
        • Level5 Cephems
          • Level6 Cephalosporins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Cephems
• Direct Parent: Cephalosporins
• Alternative Parents: N-acyl-alpha amino acids and derivatives Hydroquinolines 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles 1,3-thiazines Pyridinium derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Amino acids Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tetrahydroquinoline - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azole - Amino acid - Amino acid or derivatives - Azetidine - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Amine - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
• 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

Associated Targets(non-human)

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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Citrobacter freundii (1864 Activities)

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Escherichia coli (133304 Activities)

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Serratia marcescens (3237 Activities)

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Streptococcus pyogenes (16140 Activities)

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Enterococcus faecium (13803 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Sensitivity: Moisture sensitive
• Melt Point(°C): >160°C (dec.)
• Molecular Weight: 528.600 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 528.125 Da
• Monoisotopic Mass: 528.125 Da
• Topological Polar Surface Area: 207.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 971.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Yexuan Mao, Yichao Fan, Ran Yang, Youyi Wang, Qingyue Li, Meng Dang, Xianqing Huang, Lianjun Song, Pingan Zhang, Miao Song, Liang Liu, Linli Wang, Shun Yu, Qiuyan Zhao, Xiya Zhang.  (2023)  A highly sensitive electrochemical sensor derived from peptide amphiphilic inspired self-assembled, ordered gold nanoparticles for determination of 22 β-lactams.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2023.142669]

2. Shuangmin Wu, Wei Shen, Yushuang Chen, Yongli Zhu, Ren Hou, Menghong Dai, Dapeng Peng.  (2022)  Rapid Determination of Cephalexin in Animal-Derived Food by an Indirect Competitive Enzyme-Linked Immunosorbent Assay.  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2022.2072857]

3. Rilong Liu, Hangzhen Lan, Song Yan, Lu Huang, Daodong Pan, Yichun Wu.  (2024)  Penicillin binding proteins-based immunoassay for the selective and quantitative determination of beta-lactam antibiotics.  ENZYME AND MICROBIAL TECHNOLOGY,      [PMID:39241682] [10.1016/j.enzmictec.2024.110507]

4. Senwei Jiang, Hangzhen Lan, Daodong Pan, Lu Huang, Yichun Wu.  (2024)  Penicillin-Binding Proteins and Graphene/Chitosan Nanocomposite-Based Electrochemical Assay for Multiple Beta-Lactam Antibiotics Detection in Milk.  International Journal of Electrochemistry,  2024  (1): (1463794).  [PMID:] [10.1155/2024/1463794]

5. Yin-Chao Tong, Huan Lin, Yang Yang, Zhi-fu Zhou, Yi-Ning Zhang, Juan Wang, Wu-ren Ma, Yongsheng Wang, Wei-Min Zhang, Su-Zhu Qing.  (2026)  Magnolol inhibits the resistance of ESBLs E. coli to fourth-generation cephalosporins in vitro and in vivo.  PHYTOMEDICINE,      [PMID:41628548] [10.1016/j.phymed.2026.157889]