Antibacterial agent 199 , CAS No.1629166-56-8

CAS: 1629166-56-8 Cat. No.: A1418072 分子式: C₃₇H₄₈N₆O₈ 分子量: 704.81 PubChem CID: 102079728

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Antibacterial agent 199 (Compound 2) is an activator for caseinolytic protease ( ClpP ) with a K d of 0.7 μM. Antibacterial agent 199 exhibits antibacterial efficacy against Gram-positive strains Staphylococcus aureus , Streptococcus pneumoniae and Gram-negative strain Neisseria meningitidis , with MIC s of 16, 0.5 and 0.5 μg/mL, respectively.

Specifications

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

• カノニカル・スマイル: CC=CC=CC=CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2COC(=O)C3CCCN3C(=O)C(NC(=O)C(N(C(=O)C4CCCN4C2=O)C)C)C
• IUPAC Name: (2E,4E,6E)-N-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,13S,16S,19S)-13,16,17-trimethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]octa-2,4,6-trienamide
• InChIKey: UMDXSUFDIAGURI-YTFXDNJKSA-N
• INCHI: 1S/C37H48N6O8/c1-5-6-7-8-12-19-31(44)39-27(22-26-15-10-9-11-16-26)33(46)40-28-23-51-37(50)30-18-14-21-43(30)34(47)24(2)38-32(45)25(3)41(4)36(49)29-17-13-20-42(29)35(28)48/h5-12,15-16,19,24-25,27-30H,13-14,17-18,20-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/b6-5+,8-7+,19-12+/t24-,25-,27-,28-,29-,30-/m0/s1
• 異性体SMILES: C/C=C/C=C/C=C/C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2COC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H]4CCCN4C2=O)C)C)C
• PubChem CID: 102079728
• 分子量: 704.81

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Peptidomimetics
      • Subclass Depsipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Peptidomimetics
• Subclass: Depsipeptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic depsipeptides
• Alternative Parents: Phenylalanine and derivatives Macrolide lactams Alpha amino acid esters N-acyl-alpha amino acids and derivatives Macrolactams Alpha amino acid amides Amphetamines and derivatives N-acyl amines Tertiary carboxylic acid amides Pyrrolidines Secondary carboxylic acid amides Carboxylic acid esters Lactams Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cyclic depsipeptide - Phenylalanine or derivatives - Macrolide lactam - Alpha-amino acid ester - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.
• 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

よくある質問

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.