latamoxef - Moligand™ , CAS No.64952-97-2

CAS: 64952-97-2 Cat. No.: L611456 Summenformel: C₂₀H₂₀N₆O₉S Molekulargewicht: 520.48 PubChem CID: 47499

GRADE & PURITY Moligand™

Synonyms

(6R,7R)-7-[[3-hydroxy-2-(4-hydroxyphenyl)-3-oxo-propanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CHEBI:599928 | SPBio_001054 | BDBM50370589 | Oxa-cephem | UNII-VUF6C936Z3 | L

Storage

Room temperature

Specifications

Synonyme

(6R,7R)-7-[[3-hydroxy-2-(4-hydroxyphenyl)-3-oxo-propanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CHEBI:599928 | SPBio_001054 | BDBM50370589 | Oxa-cephem | UNII-VUF6C936Z3 | L

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Namen und Kennungen

• Kanonisches Lächeln: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O
• IUPAC Name: (6R,7R)-7-[[2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• InChIKey: JWCSIUVGFCSJCK-CAVRMKNVSA-N
• INCHI: 1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1
• Isomere SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O
• PubChem CID: 47499
• Molekulargewicht: 520.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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: Phenylacetamides Oxacephems 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Phenylacetamide - Oxacephem - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - 1,3-dicarbonyl compound - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Azetidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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: cephalosporin - oxacephem

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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F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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SLC15A1 Tchem Oligopeptide transporter small intestine isoform (922 Activities)

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Homo sapiens (32628 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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blaZ Beta-lactamase (285 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas fluorescens (1630 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Acinetobacter baumannii (41033 Activities)

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Citrobacter freundii (1864 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus pyogenes (16140 Activities)

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Rattus norvegicus (775804 Activities)

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Slc15a2 Oligopeptide transporter, kidney isoform (114 Activities)

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blaVIM-2 Beta-lactamase VIM-2 (381 Activities)

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Shouchella clausii (68 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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blaVIM-7 Metallo-b-lactamase (66 Activities)

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blaPER-6 Extended-spectrum beta-lactamase PER-6 (46 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 520.500 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 520.101 Da
• Monoisotopic Mass: 520.101 Da
• Topological Polar Surface Area: 232.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 958.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Lishan Zhang, Zujie Yao, Huamei Tang, Qingli Song, Huanhuan Song, Jindong Yao, Zhen Li, Xiaofang Xie, Yuexu Lin, Xiangmin Lin.  (2022)  The Lysine Acetylation Modification in the Porin Aha1 of Aeromonas hydrophila Regulates the Uptake of Multidrug Antibiotics.  MOLECULAR & CELLULAR PROTEOMICS,  21  (9):   [PMID:35605723] [10.1016/j.mcpro.2022.100248]

2. Yujia Chen, Wei Li, Li Wang, Bingmei Wang, Jian Suo.  (2024)  Novel inhibition of Staphylococcus aureus sortase A by plantamajoside: implications for controlling multidrug-resistant infections.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,      [PMID:39745463] [10.1128/aem.01804-24]

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 64952-97-2, the molecular formula is C20H20N6O9S, and the molecular weight is 520.48 g/mol. InChIKey JWCSIUVGFCSJCK-CAVRMKNVSA-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.