Cefpiramide sodium - Moligand™, ≥98% , Bacterial penicillin-binding protein inhibitor, CAS No.74849-93-7, Bacterial penicillin-binding protein inhibitor

CAS: 74849-93-7 Cat. No.: C356758 Molecular Weight: 634.62

GRADE & PURITY Moligand™, ≥98%

Synonyms

CEFPIRAMIDE SODIUM [USAN] | cefpiramide, sodium salt | sodium (6R,7R)-7-(((2R)-2-(((4-hydroxy-6-methylpyridin-3-yl)carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)sulfanyl)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Cefpiramide sodium is a new broad-spectrum cephalosporin possessing anti-Pseudomonas activity.

Specifications

Synonyms

CEFPIRAMIDE SODIUM [USAN] | cefpiramide, sodium salt | sodium (6R, 7R)-7-(((2R)-2-(((4-hydroxy-6-methylpyridin-3-yl)carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)sulfanyl)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, 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

Moligand™

Action Type

INHIBITOR

Mechanism of action

Bacterial penicillin-binding protein inhibitor

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
• IUPAC Name: sodium;(6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• InChIKey: RIWWMGQFMUUYIY-ALLHVENQSA-M
• INCHI: 1S/C25H24N8O7S2.Na/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2;/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40);/q;+1/p-1/t17-,18-,23-;/m1./s1
• Isomeric SMILES: CC1=CC(=O)C(=CN1)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
• Alternate CAS: 70797-11-4
• Molecular Weight: 634.62

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 N-acyl-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 - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Cephems Nicotinamides Alkylarylthioethers Phenoxides Dihydropyridines Methylpyridines 1,3-thiazines Vinylogous amides Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Cyclic ketones Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Organopnictogen compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Cephem - Nicotinamide - Aryl thioether - Dihydropyridine - Methylpyridine - Phenoxide - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Hydropyridine - Pyridine - Benzenoid - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Vinylogous amide - Carboxamide group - Cyclic ketone - Lactam - Azetidine - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Azacycle - Organic alkali metal salt - Thioether - Hydrocarbon derivative - Organic salt - Organic zwitterion - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic sodium salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO
• Sensitivity: Moisture sensitive；Light sensitive；Air sensitive；Heat sensitive
• Melt Point(°C): 211-229° C
• Molecular Weight: 634.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 634.103 Da
• Monoisotopic Mass: 634.103 Da
• Topological Polar Surface Area: 262.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1270.000
• 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: 2

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