Cefonicid sodium - ≥95% , Bacterial penicillin-binding protein inhibitor, CAS No.61270-78-8, Bacterial penicillin-binding protein inhibitor

CAS: 61270-78-8 Cat. No.: C351938 Molecular Weight: 542.5722299 EC Number: 612-109-6 PubChem CID: 43593

GRADE & PURITY ≥95%

Synonyms

CAS-61270-78-8 | Tox21_112462 | CEFONICID SODIUM | SK&F D-75073-Z(SUB 2) | Cefonicid sodium [USAN:USP] | SK&F-D-75073-Z2 | sodium (6R,7R)-7-((R)-2-hydroxy-2-phenylacetamido)-8-oxo-3-((1-(sulfonatomethyl)-1H-tetrazol-5-ylthio)methyl)-5-thia-1-azabicyclo[4.

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Cefonicid sodium is a broadspectrum cephalosporin antibiotic which inhibits the formation of the bacterial cell wall. Studies suggest that Cefonicid sodium can inhibit the carnitine/carnitine antiport when it is added internally and externally to proteoliposomes. It is known that the molecule contains various electroactive groups that can be detected using adsorptive square-wave stripping voltammetry. In addition, the compound can be detected in solution using UV spectroscopy at 265 nm. Studies indicate that Cefonicid sodium is effective against|Escherichia coli, Klebsiella, Citrobacter, Enterobacter,|indole-negative|Proteus,|and|Providencia|.

Specifications

Synonyms

CAS-61270-78-8 | Tox21_112462 | CEFONICID SODIUM | SK&F D-75073-Z(SUB 2) | Cefonicid sodium [USAN:USP] | SK&F-D-75073-Z2 | sodium (6R, 7R)-7-((R)-2-hydroxy-2-phenylacetamido)-8-oxo-3-((1-(sulfonatomethyl)-1H-tetrazol-5-ylthio)methyl)-5-thia-1-azabicyclo[4.

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Action Type

INHIBITOR

Mechanism of action

Bacterial penicillin-binding protein inhibitor

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504753628
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753628
• Canonical Smiles: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)O)C(=O)[O-])CSC4=NN=NN4CS(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfonatomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• InChIKey: NAXFZVGOZUWLEP-RFXDPDBWSA-L
• INCHI: 1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t11-,13-,16-;;/m1../s1
• Isomeric SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)O)C(=O)[O-])CSC4=NN=NN4CS(=O)(=O)[O-].[Na+].[Na+]
• PubChem CID: 43593
• Molecular Weight: 542.5722299

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 Phenylacetamides Alkylarylthioethers 1,3-thiazines Tertiary carboxylic acid amides Sulfonyls Tetrazoles Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Azetidines Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Aromatic alcohols Organopnictogen compounds Hydrocarbon derivatives Organic sodium salts
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Aryl thioether - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Tetrazole - Heteroaromatic compound - Alkanesulfonic acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid salt - Hemithioaminal - Thioether - Organic alkali metal salt - Dialkylthioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic alcohol - Alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic salt - 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: organic sodium salt

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)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, DMSO, and methanol.
• Sensitivity: light sensitive；moisture sensitive
• Refractive Index: n20D1.85 (Predicted)
• Specific Rotation[α]: α20D-46.3°, c = 0.20 in methanol
• Melt Point(°C): >184° C (dec.)
• Molecular Weight: 586.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 585.999 Da
• Monoisotopic Mass: 585.999 Da
• Topological Polar Surface Area: 270.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 980.000
• 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: 3

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