Ceftiofur - ≥98% , CAS No.80370-57-6

CAS: 80370-57-6 Cat. No.: C304688 Peso molecular: 523.56 Número EC: 688-302-4

GRADE & PURITY ≥98%

Synonyms

Ceftiofur | Naxcel (veterinary) | AKOS015998831 | 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))- | CCG-269876 | Naxcel | UNII-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Ceftiofur | Naxcel (veterinary) | AKOS015998831 | 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, (6R-(6alpha, 7beta(Z)))- | CCG-269876 | Naxcel | UNII-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764070
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764070
• Sonrisas canónicas: CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O
• IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• InChIKey: ZBHXIWJRIFEVQY-IHMPYVIRSA-N
• INCHI: 1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1
• Isómeros SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O
• Peso molecular: 523.56
• Reaxy-Rn: 15482966
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15482966&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Cephems
• Direct Parent: Cephalosporins
• Alternative Parents: N-acyl-alpha amino acids and derivatives Furoic acid and derivatives 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Thioesters Amino acids Carbothioic S-esters Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Furoic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Carbothioic s-ester - Thiocarboxylic acid ester - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)

Discover Target: SLC22A8

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

Objetivos asociados (no humanos)

Klebsiella pneumoniae (43867 Activities)

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Salmonella typhimurium (15756 Activities)

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

Citrobacter freundii (1864 Activities)

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

Escherichia coli (133304 Activities)

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Salmonella enterica (1497 Activities)

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

Slc22a6 Solute carrier family 22 member 6 (141 Activities)

Discover Target: Slc22a6

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 523.600 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 523.029 Da
• Monoisotopic Mass: 523.029 Da
• Topological Polar Surface Area: 256.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 945.000
• 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

Referencias

1. Li Zhang, Hongbo Mo, Chuan Wang, Xiaofeng Li, Shuai Jiang, Weigang Fan, Yagang Zhang.  (2023)  Synthesis and Properties of Cefixime Core–Shell Magnetic Nano-Molecularly Imprinted Materials.  Polymers,  15  (22): (4464).  [PMID:38006188] [10.3390/polym15224464]

2. 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]

3. 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]

4. Yueran Zhu, Yunguang Lu, Longyan Shi, Yaling Yang.  (2019)  β-Cyclodextrin functionalized N,Zn codoped carbon dots for specific fluorescence detection of fluoroquinolones in milk samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2019.104517]

5. Bohan Wang, Lanhua Liu, Haopeng Zhang, Zhiqiang Wang, Kang Chen, Bo Wu, Limin Hu, Xiaohong Zhou, Lanlan Liu.  (2024)  A group-targeting biosensor for sensitive and rapid detection of quinolones in water samples.  ANALYTICA CHIMICA ACTA,      [PMID:38553128] [10.1016/j.aca.2024.342475]

6. Pingping Yuan, Mengying Zhang, Sheng Wang, Lin Li, Runan Zuo, Shaoqi Qu.  (2025)  Bacteria-Responsive Drug Delivery System Utilizing Carboxymethyl Cellulose-Functionalized Metal–Organic Framework for Enhanced Antibacterial Efficacy.  ACS Biomaterials Science & Engineering,      [PMID:40131182] [10.1021/acsbiomaterials.5c00084]

7. Zhenbin Chen, Haohan Cai, Feng Huang, Zongping Wang, Yiqun Chen, Zizheng Liu, Pengchao Xie.  (2024)  Degradation of β-lactam antibiotics by Fe(III)/HSO3− system and their quantitative structure-activity relationship.  ENVIRONMENTAL RESEARCH,      [PMID:38986801] [10.1016/j.envres.2024.119577]

8. 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]

9. 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]

10. Feiyu Yu, Shuyao Zhu, Qingyang Lv, Dan Fang, Haijie Zhang, Zhiqiang Wang, Yuan Liu.  (2025)  Lon dysfunction-mediated collateral sensitivity drives effective antibiotic combination therapies against tigecycline-resistant pathogens.  Cell Reports,      [PMID:40650911] [10.1016/j.celrep.2025.115987]