Flomoxef sodium - Moligand™, ≥98% , Bacterial penicillin-binding protein inhibitor, CAS No.92823-03-5, Bacterial penicillin-binding protein inhibitor

CAS: 92823-03-5 Cat. No.: F610340 Summenformel: C₁₅H₁₇F₂N₆NaO₇S₂ Molekulargewicht: 518.45 PubChem CID: 23679966

GRADE & PURITY Moligand™, ≥98%

Synonyms

Flomoxefum | (6R,7R)-7-[[2-[(Difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monosodium salt | 6315-S Sodium salt | FMOX Sodium salt

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Flomoxef sodium is a oxacephem group antibiotic, with excellent activity against various Gram-positive bacteria.At the same molar concentration, the salt form and free form of compounds have the same biological activity, but the salt form Flomoxef sodium usually has better water solubility and stability.

Specifications

Synonyme

Flomoxefum | (6R,7R)-7-[[2-[(Difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monosodium salt | 6315-S Sodium salt | FMOX Sodium salt

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Bacterial penicillin-binding protein inhibitor

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528772415

Kanonisches Lächeln

COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)[O-])NC(=O)CSC(F)F.[Na+]

IUPAC Name

sodium;(6R,7R)-7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

InChIKey

PPPZBOLFWGINKN-YLCXCWDSSA-M

INCHI

1S/C15H18F2N6O7S2.Na/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24;/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27);/q;+1/p-1/t12-,15+;/m1./s1

Isomere SMILES

CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)[O-])NC(=O)CSC(F)F.[Na+]

PubChem CID

23679966

Molekulargewicht

518.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Oxacephems Alkylarylthioethers Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid salts Alkanolamines Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic metal halides Carbonyl compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Primary alcohols Organic oxides Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Oxacephem - Aryl thioether - Alkylarylthioether - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Alkanolamine - Organic metal halide - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Thioether - Sulfenyl compound - Dialkylthioether - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary alcohol - Organic sodium salt - Alcohol - Organic salt - Carbonyl group - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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

Zugehörige Ziele (nicht menschlich)

Streptococcus pneumoniae (31063 Activities)

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Pseudomonas aeruginosa (123386 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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Citrobacter freundii (1864 Activities)

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Escherichia coli (133304 Activities)

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Serratia marcescens (3237 Activities)

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Shigella sonnei (625 Activities)

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Enterococcus faecalis (29875 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive；Moisture sensitive
• Molekulargewicht: 496.500 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 496.065 Da
• Monoisotopic Mass: 496.065 Da
• Topological Polar Surface Area: 220.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 793.000
• 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