Zidebactam - Moligand™, ≥98% , CAS No.1436861-97-0

CAS: 1436861-97-0 Cat. No.: Z614961 Summenformel: C₁₃H₂₁N₅O₇S Molekulargewicht: 391.40

GRADE & PURITY Moligand™, ≥98%

Synonyms

WCK 5107 | AMY30764 | AKOS030573727 | HY-120859 | SCHEMBL16151824 | Zidebactam, (-)- | ZIDEBACTAM [WHO-DD] | [(2S,5R)-7-oxo-2-[[[(3R)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate | DB13090 | Zidebactam [INN] |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Zidebactam (WCK-5107) is a potent β-lactamase inhibitor. Zidebactam also is a penicillin-binding protein2 (PBP2) inhibitor with an IC50 of 0.26 μg/mL.

Specifications

Synonyme

WCK 5107 | AMY30764 | AKOS030573727 | HY-120859 | SCHEMBL16151824 | Zidebactam, (-)- | ZIDEBACTAM [WHO-DD] | [(2S,5R)-7-oxo-2-[[[(3R)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate | DB13090 | Zidebactam [INN] |

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528768588

Kanonisches Lächeln

C1CC(CNC1)C(=O)NNC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O

IUPAC Name

[(2S,5R)-7-oxo-2-[[[(3R)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

InChIKey

YCZPXRQPDCXTIO-BBBLOLIVSA-N

INCHI

1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1

Isomere SMILES

C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O

Alternative CAS-Nummer

1436861-97-0；1706777-46-9

MeSH-Eintrag

zidebactam

Molekulargewicht

391.40

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 Alpha amino acid amides

• 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: Alpha amino acid amides
• Alternative Parents: Beta amino acids and derivatives Piperidinecarboxamides 1,3-diazepanes Imidazolidinones Diacylhydrazines Organic sulfuric acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Beta amino acid or derivatives - Piperidinecarboxamide - 3-piperidinecarboxamide - 2-piperidinecarboxamide - 1,3-diazepane - Diazepane - Diacylhydrazine - Imidazolidinone - Piperidine - Imidazolidine - Organic sulfuric acid or derivatives - Carboxylic acid hydrazide - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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)

Pseudomonas aeruginosa (123386 Activities)

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Enterobacter cloacae (7976 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 391.400 g/mol
• XLogP3: -4.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 391.116 Da
• Monoisotopic Mass: 391.116 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 693.000
• 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: 1