cefluprenam - Moligand™ , CAS No.116853-25-9

CAS: 116853-25-9 Cat. No.: C608452 PubChem CID: 6536774

GRADE & PURITY Moligand™

Synonyms

CEFLUPRENAM [JAN] | (6R,7R)-7-((E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((fluoromethoxy)imino)acetamido)-3-((E)-3-((2-amino-2-oxoethyl)(ethyl)(methyl)ammonio)prop-1-en-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | Cefluprenam | AKOS040748

Storage

Room temperature

Specifications

Sinónimos

CEFLUPRENAM [JAN] | (6R,7R)-7-((E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((fluoromethoxy)imino)acetamido)-3-((E)-3-((2-amino-2-oxoethyl)(ethyl)(methyl)ammonio)prop-1-en-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | Cefluprenam | AKOS040748

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Nomes e identificadores

• Sorrisos canónicos: CC[N+](C)(CC=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCF)C3=NSC(=N3)N)SC1)C(=O)[O-])CC(=O)N
• IUPAC Name: (6R,7R)-3-[(E)-3-[(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• InChIKey: XAKKNLNAJBNLPC-MAYKBZFQSA-N
• INCHI: 1S/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12-/t13-,18-,29?/m1/s1
• SMILES isoméricas: CC[N+](C)(C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCF)/C3=NSC(=N3)N)SC1)C(=O)[O-])CC(=O)N
• CAS alternativo: 116853-25-9
• PubChem CID: 6536774
• Termos de entrada MeSH: 7-(2-(5-amino-1,2,4-thiadiazol-3-yl)-2-fluoromethoxyiminoacetoamido)-3-(3-carbamoylmethylethylmethylammonio-1-propenyl)-8-oxo-5-thia-1-azabicyclo(4,2,0)oct-2-ene-2-carboxylate;cefluprenam;E 1077;E-1077;E1077

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Cephems
• Direct Parent: Cephalosporins
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides 1,3-thiazines Heteroaromatic compounds Thiadiazoles Tetraalkylammonium salts Tertiary carboxylic acid amides Carboxylic acid salts Secondary carboxylic acid amides Azetidines Amino acids Primary carboxylic acid amides Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organofluorides Alkyl fluorides Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Meta-thiazine - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiadiazole - Azole - Amino acid - Amino acid or derivatives - Carboxylic acid salt - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Azetidine - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Thioether - Hemithioaminal - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descrição: 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: 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

Alvos associados (humanos)

SLC15A1 Tchem Oligopeptide transporter small intestine isoform (922 Activities)

Discover Target: SLC15A1

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

Alvos associados (não humanos)

Slc15a2 Oligopeptide transporter, kidney isoform (114 Activities)

Discover Target: Slc15a2

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 556.600 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 11
• Exact Mass: 556.132 Da
• Monoisotopic Mass: 556.132 Da
• Topological Polar Surface Area: 260.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 1040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 116853-25-9. InChIKey XAKKNLNAJBNLPC-MAYKBZFQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.