Potassium clavulanate - ≥90% , Bacterial beta-lactamase TEM inhibitor, CAS No.61177-45-5, Bacterial beta-lactamase TEM inhibitor

CAS: 61177-45-5 Cat. No.: C298969 Molecular Weight: 237.25 EC Number: 262-640-9

GRADE & PURITY ≥90%

Synonyms

Potassium clavulanate | W-105420 | 7-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one | POTASSIUM CLAVULANATE (MART.) | POTASSIUM CLAVULANATE [EP MONOGRAPH] | ABVRVIZBZKUTMK-JSYANWSFSA-M | CHEBI:85264 | CLAVULANATE POTASSIUM [USP MONOGRAPH] | Clavulanate, Pota

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Clavulanate potassium is a potent β-lactamase inhibitor and acts as an antibiotic.

Specifications

Synonyms

Potassium clavulanate | W-105420 | 7-methyl-[1, 3]dithiolo[4, 5-b]quinoxalin-2-one | POTASSIUM CLAVULANATE (MART.) | POTASSIUM CLAVULANATE [EP MONOGRAPH] | ABVRVIZBZKUTMK-JSYANWSFSA-M | CHEBI:85264 | CLAVULANATE POTASSIUM [USP MONOGRAPH] | Clavulanate, Pota

Specifications & Purity

≥90%

Biochemical and Physiological Mechanisms

β-lactamase inhibitor, typically added to amoxicillin to increase its effectiveness.

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.

Action Type

INHIBITOR

Mechanism of action

Bacterial beta-lactamase TEM inhibitor

Purity

≥90%

Names and Identifiers

• Canonical Smiles: C1C2N(C1=O)C(C(=CCO)O2)C(=O)[O-].[K+]
• IUPAC Name: potassium;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
• InChIKey: ABVRVIZBZKUTMK-JSYANWSFSA-M
• INCHI: 1S/C8H9NO5.K/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1
• Isomeric SMILES: C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)[O-].[K+]
• Molecular Weight: 237.25
• Reaxy-Rn: 37773550
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37773550&ln=

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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Clavams 1,4-oxazepines Tertiary carboxylic acid amides Oxazolidines Azetidines Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic potassium salts Organic zwitterions Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Primary alcohols
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Clavam - Para-oxazepine - Beta-lactam - Oxazolidine - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Azacycle - Organic alkali metal salt - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Primary alcohol - Organic potassium salt - Organic zwitterion - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: potassium 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(Human)

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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

Associated Targets(non-human)

blaZ Beta-lactamase (285 Activities)

Discover Target: blaZ

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 Methanol and Water
• Molecular Weight: 237.250 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 237.004 Da
• Monoisotopic Mass: 237.004 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 329.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yujia Chen, Wei Li, Li Wang, Bingmei Wang, Jian Suo.  (2024)  Novel inhibition of Staphylococcus aureus sortase A by plantamajoside: implications for controlling multidrug-resistant infections.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,      [PMID:39745463] [10.1128/aem.01804-24]