Indolmycin - Moligand™, ≥95% , CAS No.21200-24-8

CAS: 21200-24-8 Cat. No.: I329467 分子式: C₁₄H₁₅N₃O₂ 分子量: 257.29

GRADE & PURITY Moligand™, ≥95%

Synonyms

CHEBI:79394 | (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-methylimino-1,3-oxazolidin-4-one | Indolmycin | CHEBI:94698 | (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one | 4(5H)-Oxazolone, 5-(1-(1H-indol-3-yl)ethyl)-2-(methylamino)-, (S

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Indolmycin is a naturally occurring antibiotic that acts against|Staphylococci|and|Helicobacter pylori.|The compound is a secondary metabolite of|Streptomyces griseus|with the ability to inhibit bacterial tryptophanyl-tRNA synthetase.

Specifications

同義語

CHEBI:79394 | (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-methylimino-1,3-oxazolidin-4-one | Indolmycin | CHEBI:94698 | (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one | 4(5H)-Oxazolone, 5-(1-(1H-indol-3-yl)ethyl)-2-(methylamino)-, (S

仕様と純度

Moligand™, ≥95%

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。

等級

Moligand™

純度

≥95%

製品の性質

• pKa: pKa: 0.96 (Predicted)

名前と識別子

• パブケム・シド: 504773296
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504773296
• カノニカル・スマイル: CC(C1C(=O)NC(=NC)O1)C2=CNC3=CC=CC=C32
• IUPAC Name: (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-methylimino-1,3-oxazolidin-4-one
• InChIKey: GNTVWGDQPXCYBV-PELKAZGASA-N
• INCHI: 1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1
• 異性体SMILES: C[C@@H]([C@H]1C(=O)NC(=NC)O1)C2=CNC3=CC=CC=C32
• 分子量: 257.29
• Reaxy-Rn: 620841
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=620841&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Substituted pyrroles Benzenoids Oxazolines Heteroaromatic compounds N-acylimines Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Substituted pyrrole - Benzenoid - Oxazoline - Pyrrole - Heteroaromatic compound - Isourea - N-acylimine - Carboxylic acid derivative - Carboximidamide - Oxacycle - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• External Descriptors: 1,3-oxazoles - indoles - secondary amino compound

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

関連ターゲット（人間）

HeLa (62764 Activities)

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関連ターゲット（非人間）

Helicobacter pylori (3113 Activities)

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

Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Streptococcus pyogenes (16140 Activities)

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Enterococcus faecium (13803 Activities)

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Bacillus subtilis (32866 Activities)

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Streptomyces griseus (104 Activities)

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Enterococcus faecalis (29875 Activities)

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Streptomyces coelicolor (161 Activities)

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Influenza A virus (11224 Activities)

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Coxsackievirus B1 (166 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol, methanol, DMSO, DMF, and water (poor).
• 屈折率: n20D1.67 (Predicted)
• 沸点（°C）: 420.75° C at 760 mmHg (Predicted)
• 融点（°C）: 186.82° C (Predicted)
• 分子量: 257.290 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 257.116 Da
• Monoisotopic Mass: 257.116 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 396.000
• 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: 1