cefsulodin - Moligand™ , Bacterial penicillin-binding protein inhibitor, CAS No.62587-73-9, Bacterial penicillin-binding protein inhibitor

CAS: 62587-73-9 Cat. No.: C608459 Summenformel: C₂₂H₂₀N₄O₈S₂ Molekulargewicht: 532.6 PubChem CID: 656575

GRADE & PURITY Moligand™

Synonyms

CEFSULODIN [INN] | Cefsulodinum | CGP-7174-E | DTXSID6022769 | Cefsulodin [INN:BAN] | Cefsulodin (INN) | OV42LHE42B | (6R,7R)-3-((4-carbamoylpyridinio)methyl)-8-oxo-7-((R)-2-phenyl-2-sulfoacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat | (6R,7R

Storage

Room temperature

Specifications

Synonyme

CEFSULODIN [INN] | Cefsulodinum | CGP-7174-E | DTXSID6022769 | Cefsulodin [INN:BAN] | Cefsulodin (INN) | OV42LHE42B | (6R,7R)-3-((4-carbamoylpyridinio)methyl)-8-oxo-7-((R)-2-phenyl-2-sulfoacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat | (6R,7R

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Bacterial penicillin-binding protein inhibitor

Produkteigenschaften

• ALogP: 0.2

Namen und Kennungen

• Kanonisches Lächeln: O=C([C@H](S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)C(=O)N
• IUPAC Name: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• InChIKey: SYLKGLMBLAAGSC-QLVMHMETSA-N
• INCHI: 1S/C22H20N4O8S2/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)/t15-,17-,21-/m1/s1
• Isomere 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
• PubChem CID: 656575
• Molekulargewicht: 532.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Lactams
      • Subclass Beta lactams
        • Ebene5 Cephems
          • Ebene6 Cephalosporins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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 salts Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Phenylacetamide - Alpha-amino acid or derivatives - Pyridine carboxylic acid or derivatives - Meta-thiazine - Pyridine - Pyridinium - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid or derivatives - Organosulfonic acid - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Primary carboxylic acid amide - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organic oxide - Organic zwitterion - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Aromatic heteropolycyclic compound
• Beschreibung: 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: cephalosporin

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

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VDR Tclin Vitamin D receptor (26531 Activities)

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SLC15A1 Tchem Oligopeptide transporter small intestine isoform (922 Activities)

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DUSP3 Tchem Dual specificity protein phosphatase 3 (1161 Activities)

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PTPRA Tchem Receptor-type tyrosine-protein phosphatase alpha (287 Activities)

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PTPRB Tchem Receptor-type tyrosine-protein phosphatase beta (330 Activities)

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PTPN6 Tchem Protein-tyrosine phosphatase 1C (687 Activities)

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PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)

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PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)

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PTPRF Tchem Receptor-type tyrosine-protein phosphatase F (LAR) (718 Activities)

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PTPN22 Tchem Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (1215 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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HEK293 (82097 Activities)

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PTPRE Tbio Receptor-type tyrosine-protein phosphatase epsilon (68 Activities)

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PTPRM Tchem Receptor-type tyrosine-protein phosphatase mu (41 Activities)

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ACP1 Tchem Low molecular weight phosphotyrosine protein phosphatase (1161 Activities)

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PTPRG Tchem Receptor-type tyrosine-protein phosphatase gamma (63 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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

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PTPN9 Tchem Tyrosine-protein phosphatase non-receptor type 9 (97 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

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SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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CDC14A Tbio Dual specificity protein phosphatase CDC14A (30 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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PPP5C Tbio Serine/threonine-protein phosphatase 5 (22 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

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Salmonella typhimurium (15756 Activities)

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Escherichia coli (133304 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Slc15a2 Oligopeptide transporter, kidney isoform (114 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Slc22a6 Solute carrier family 22 member 6 (141 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Slc22a5 Solute carrier family 22 member 5 (44 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 532.600 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 532.072 Da
• Monoisotopic Mass: 532.072 Da
• Topological Polar Surface Area: 225.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 1050.000
• 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: 1

Häufig gestellte Fragen

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 62587-73-9, the molecular formula is C22H20N4O8S2, and the molecular weight is 532.6 g/mol. InChIKey SYLKGLMBLAAGSC-QLVMHMETSA-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.