Cefsulodin Sodium Salt Hydrate - ≥95%(HPLC) , CAS No.52152-93-9

CAS: 52152-93-9 Cat. No.: C136645 Molecular Weight: 554.52(as Anhydrous) EC Number: 257-692-4

GRADE & PURITY ≥95%(HPLC)

Synonyms

C2598 | CEFSULODIN SODIUM [USAN] | Pseudomonil | Sulcephalosporin | Tox21_500259 | CEFSULODIN SODIUM [JAN] | 2D087186PY | Cefsulodin sodium (JP17/USAN) | cefsulodin sodium | HMS3260D20 | Hydrogen (6R-(6alpha,7beta(R*)))-4-carbamoyl-1-((2-carboxylato-8-oxo

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Cefsulodin sodium salt hydrate is a third generation β lactam antibiotic and member of the cephems subgroub of antibiotics. The compound displays a mechanism of action like many β lactam antibiotics through inhibition of cell wall synthesis by competitively inhibiting penicillin binding protein (PBP) crosslinking of peptidoglycan resulting in inhibition of the final transpeptidation step. Through the inability for Cefsulodin sodium salt hydrate to inhibit cefsulodin-resistant mutants of Pseudomonas aeruginosa PAO4089 growth displayed that Cefsulodin sodium salt hydrate may compete with PBP3 in addtion to PBP1A and PBP1B.
A β lactam antibiotic.

Specifications

Synonyms

C2598 | CEFSULODIN SODIUM [USAN] | Pseudomonil | Sulcephalosporin | Tox21_500259 | CEFSULODIN SODIUM [JAN] | 2D087186PY | Cefsulodin sodium (JP17/USAN) | cefsulodin sodium | HMS3260D20 | Hydrogen (6R-(6alpha, 7beta(R*)))-4-carbamoyl-1-((2-carboxylato-8-oxo

Specifications & Purity

≥95%(HPLC)

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.

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 504759782
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759782
• Canonical Smiles: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+]
• IUPAC Name: sodium;(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• InChIKey: REACMANCWHKJSM-DWBVFMGKSA-M
• INCHI: 1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/p-1/t15-,17-,21-;/m1./s1
• Isomeric SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+]
• Molecular Weight: 554.52(as Anhydrous)
• Reaxy-Rn: 25332748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25332748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactams
      • Subclass Beta lactams
        • Level5 Cephems
          • Level6 Cephalosporins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Cephems
• Direct Parent: Cephalosporins
• Alternative Parents: N-acyl-alpha amino acids and derivatives Phenylacetamides Pyridinecarboxylic acids and derivatives 1,3-thiazines Pyridinium derivatives Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organopnictogen compounds Organic zwitterions Organonitrogen compounds Organic sodium salts Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Pyridine carboxylic acid or derivatives - Meta-thiazine - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkanesulfonic acid - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Primary carboxylic acid amide - Azetidine - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Carboxylic acid derivative - Organic alkali metal salt - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic sodium salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
• External Descriptors: organic molecular entity

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)

POLB Tchem DNA polymerase beta (23632 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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Associated Targets(non-human)

Trypanosoma cruzi (99888 Activities)

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Trans-sialidase (51 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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nfo Endonuclease 4 (425 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: 50 mg/m H2O.
• Sensitivity: Moisture & heat sensitive
• Refractive Index: +16.0 to +20.0 deg(C=1, H2O)
• Molecular Weight: 554.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 554.054 Da
• Monoisotopic Mass: 554.054 Da
• Topological Polar Surface Area: 227.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 1040.000
• 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

XLogP3