Ertapenem sodium - GR , Bacterial penicillin-binding protein inhibitor, CAS No.153773-82-1, Bacterial penicillin-binding protein inhibitor

CAS: 153773-82-1 Cat. No.: E302984 Molecular Weight: 497.5 EC Number: 836-232-1

GRADE & PURITY GR

Synonyms

Ertapenem sodium | Q-201065 | MK-0826 | L-749345;MK-826 | AC-1633 | Ertapenem sodium salt | Sodium (4R,5S,6S)-3-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Application

Ertapenem Monosodium is a β-lactam antibiotics with broad-spectrum potency and high β-lactamase resistance.

Specifications

Synonyms

Ertapenem sodium | Q-201065 | MK-0826 | L-749345;MK-826 | AC-1633 | Ertapenem sodium salt | Sodium (4R, 5S, 6S)-3-(((3S, 5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Specifications & Purity

GR

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

GR

Action Type

INHIBITOR

Mechanism of action

Bacterial penicillin-binding protein inhibitor

Names and Identifiers

• Canonical Smiles: CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)[O-])C(C)O.[Na+]
• IUPAC Name: sodium;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• InChIKey: ZXNAQFZBWUNWJM-HRXMHBOMSA-M
• INCHI: 1S/C22H25N3O7S.Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32);/q;+1/p-1/t9-,10-,13+,14+,15-,16-;/m1./s1
• Isomeric SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)[O-])[C@@H](C)O.[Na+]
• Alternate CAS: 153832-46-3
• Molecular Weight: 497.5
• Reaxy-Rn: 43455531
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43455531&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactams
      • Subclass Beta lactams
        • Level5 Carbapenems
          • Level6 Thienamycins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Carbapenems
• Direct Parent: Thienamycins
• Alternative Parents: Alpha amino acids and derivatives Benzoic acids Benzoyl derivatives Pyrroline carboxylic acids Azepines Vinylogous thioesters Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Pyrrolidines Amino acids Secondary alcohols Azetidines Thioenol ethers Dialkylamines Carboxylic acids Carboximidic acids Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienamycin - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Pyrroline carboxylic acid or derivatives - Pyrroline carboxylic acid - Benzoyl - Azepine - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Vinylogous thioester - Pyrrolidine - Pyrroline - Tertiary carboxylic acid amide - Secondary alcohol - Amino acid - Azetidine - Amino acid or derivatives - Carboxamide group - Thioenolether - Azacycle - Organic alkali metal salt - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Secondary amine - Organic salt - Organic oxygen compound - Amine - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Organic zwitterion - Organic nitrogen compound - Organic sodium salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain.
• 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic;Moisture sensitive
• Melt Point(°C): >174ºC