Cephalosporin C zinc salt , CAS No.59143-60-1

CAS: 59143-60-1 Cat. No.: C337167 Peso molecular: 478.78 Número EC: 261-624-9 PubChem CID: 11957494

Synonyms

LP00281 | HY-B1299A | 7AX8Y0VD4W | Tox21_500281 | zinc;(6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxylatopentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | Zinc(II)(6R,7R)-3-(acetoxymethyl)-7-((R)-5-amino-5-carboxylatopenta

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Cephalosporin C zinc salt is an antibiotic used to study the effect of transpeptidase expression, binding, and inhibition on bacterial cell wall mucopeptide synthesis. Cephalosporin C zinc salt, as is expected of a Cephalosporin, will disrupt the synthesis of the peptidoglycan layer of bacterial cell walls. Cephalosporin C, and Cephalosporin C zinc salt in particular, have been used to determine activity during stopped-flow Fluorescence spectrometric measurements of association.

Specifications

Sinónimos

LP00281 | HY-B1299A | 7AX8Y0VD4W | Tox21_500281 | zinc;(6R, 7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxylatopentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | Zinc(II)(6R, 7R)-3-(acetoxymethyl)-7-((R)-5-amino-5-carboxylatopenta

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Nombres e identificadores

• Sonrisas canónicas: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)[O-])N)SC1)C(=O)[O-].[Zn+2]
• IUPAC Name: zinc;(6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxylatopentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• InChIKey: TVMXJQZBKOMFQK-OOARYINLSA-L
• INCHI: 1S/C16H21N3O8S.Zn/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/q;+2/p-2/t9-,11-,14-;/m1./s1
• Isómeros SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])N)SC1)C(=O)[O-].[Zn+2]
• WGK Alemania: 3
• PubChem CID: 11957494
• Peso molecular: 478.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactams
      • Subclass Beta lactams
        • Level5 Cephems
          • Level6 Cephalosporins
            • Level7 Cephalosporin 3'-esters

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Cephems - Cephalosporins
• Direct Parent: Cephalosporin 3'-esters
• Alternative Parents: N-acyl-alpha amino acids and derivatives D-alpha-amino acids Tricarboxylic acids and derivatives 1,3-thiazines N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid esters Carboxylic acid salts Thiohemiaminal derivatives Organic transition metal salts Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Tricarboxylic acid or derivatives - Meta-thiazine - N-acyl-amine - Fatty amide - Fatty acyl - Tertiary carboxylic acid amide - Carboxylic acid salt - Carboxylic acid ester - Carboxamide group - Azetidine - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic transition metal salt - Carboxylic acid - Dialkylthioether - Hemithioaminal - Thioether - Amine - Organopnictogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Primary aliphatic amine - Organic zwitterion - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.
• 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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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 240-242° C
• Peso molecular: 478.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 477.018 Da
• Monoisotopic Mass: 477.018 Da
• Topological Polar Surface Area: 207.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 726.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

XLogP3