Ceftezole Sodium - 10mM in DMSO , CAS No.41136-22-5

CAS: 41136-22-5 Cat. No.: C423870 Formula: C₁₃H₁₁N₈NaO₄S₃ Molecular Weight: 462.46 EC Number: 110-653-4

GRADE & PURITY 10mM in DMSO

Synonyms

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 8-oxo-7-((1H-tetrazol-1-ylacetyl)amino)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-, monosodium salt, (6R-trans)- | Ceftezolesodium | EN300-123055 | CAS-41136-22-5 | D81767 | CHEBI:31382 | CCG-39691 | Ceft

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 8-oxo-7-((1H-tetrazol-1-ylacetyl)amino)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-, monosodium salt, (6R-trans)- | Ceftezolesodium | EN300-123055 | CAS-41136-22-5 | D81767 | CHEBI:31382 | CCG-39691 | Ceft

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Ceftezole sodium (CTZ sodium) 是一种广谱 cephem 抗生素，具有抑制多种革兰氏阳性菌和革兰氏阴性菌活性。Ceftezole sodium (CTZ sodium) 是一种有效的 alpha-glucosidase 抑制剂，具有体内抗糖尿病活性。

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Names and Identifiers

Pubchem Sid

528763893

Canonical Smiles

C1C(=C(N2C(S1)C(C2=O)NC(=O)CN3C=NN=N3)C(=O)[O-])CSC4=NN=CS4.[Na+]

IUPAC Name

sodium;(6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

InChIKey

UGUMHWUOXWFPFH-JHQAJZDGSA-M

INCHI

1S/C13H12N8O4S3.Na/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13;/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25);/q;+1/p-1/t8-,11-;/m1./s1

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3C=NN=N3)C(=O)[O-])CSC4=NN=CS4.[Na+]

Molecular Weight

462.46

Reaxy-Rn

52595653

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=52595653&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
            • 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 Alkylarylthioethers 1,3-thiazines Thiadiazoles Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Cephem - Aryl thioether - Alkylarylthioether - Meta-thiazine - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Thiadiazole - Azetidine - Carboxamide group - Lactam - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Azacycle - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Thioether - Hemithioaminal - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - Organic oxide - Carbonyl group - 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: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 462.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 461.996 Da
• Monoisotopic Mass: 461.996 Da
• Topological Polar Surface Area: 238.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 716.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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