ent-Avibactam sodium , CAS No.396731-20-7

CAS: 396731-20-7 Cat. No.: E1416115 Molecular Weight: 287.23 EC Number: 834-591-9 PubChem CID: 24944097

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ent-Avibactam sodium (AVE1330A) is a new β-lactamase inhibitor with broad-spectrum antibacterial activity. ent-Avibactam sodium, in combination with ceftazidime, exhibits significant inhibitory effects on Enterobacteriaceae that produce Ambler class A and class C beta-lactamases. The IC 50 value of ent-Avibactam sodium is much lower than the commonly used β-lactamase inhibitors clavulanic acid and ticarbonitrile, showing its ability to inhibit TEM-1 and P99 enzyme efficiency.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: C1CC(N2CC1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]
• IUPAC Name: sodium;[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
• InChIKey: RTCIKUMODPANKX-JBUOLDKXSA-M
• INCHI: 1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1
• Isomeric SMILES: C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]
• Alternate CAS: 396731-20-7,790235-32-4,1192491-61-4
• PubChem CID: 24944097
• MeSH Entry Terms: avibactam;NXL 104;NXL-104;NXL104
• Molecular Weight: 287.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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: Piperidinecarboxamides 1,3-diazepanes Imidazolidinones Organic sulfuric acids and derivatives Primary carboxylic acid amides Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - 2-piperidinecarboxamide - Piperidinecarboxamide - 1,3-diazepane - Diazepane - Imidazolidinone - Piperidine - Imidazolidine - Organic sulfuric acid or derivatives - Carboxamide group - Carbonic acid derivative - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic alkali metal salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic sodium salt - Carbonyl group - Organic oxygen compound - Organic salt - Aliphatic heteropolycyclic compound
• Description: 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: 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