Xeruborbactam , CAS No.2170834-63-4

CAS: 2170834-63-4 Cat. No.: X1419199 PubChem CID: 140830474

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Xeruborbactam (QPX7728) is a potent, ultra-broad-spectrum boronic acid beta-lactamase inhibitor. Xeruborbactam inhibits key serine and metallo beta-lactamases at a nano molar range.

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: B1(C2CC2C3=C(O1)C(=C(C=C3)F)C(=O)O)O
• IUPAC Name: (1aR,7bS)-5-fluoro-2-hydroxy-1a,7b-dihydro-1H-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
• InChIKey: KOHUFVUIYUCFNG-PHDIDXHHSA-N
• INCHI: 1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1
• Isomeric SMILES: B1([C@@H]2C[C@@H]2C3=C(O1)C(=C(C=C3)F)C(=O)O)O
• Alternate CAS: 2170834-63-4
• PubChem CID: 140830474
• MeSH Entry Terms: (1Ar,7bS)-5-fluoro-2-hydroxy-1a,7b-dihydro-1H-cyclopropa(c)(1,2)benzoxaborinine-4-carboxylic acid;QPX7728

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-carboxy-2-haloaromatic compounds
• Alternative Parents: Benzenoids Aryl fluorides Vinylogous halides Boronic acid esters Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Monoalkylboranes Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-carboxy-2-haloaromatic compound - Benzenoid - Aryl halide - Aryl fluoride - Vinylogous halide - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Monoalkylborane - Alkylborane - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organofluoride - Organoboron compound - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-carboxy-2-haloaromatic compounds. These are aromatic compounds containing 1 carboxyl group and a C-X (X = halogen) group at adjacent positions of an aromatic ring.
• 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