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

CAS: 21200-24-8 Cat. No.: I329467 Formula: C₁₄H₁₅N₃O₂ Peso molecolare: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

Moligand™, ≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥95%

Proprietà del prodotto

• pKa: pKa: 0.96 (Predicted)

Nomi e identificatori

• Pubchem Sid: 504773296
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773296
• Sorrisi canonici: 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
• Isomeri SMILES: C[C@@H]([C@H]1C(=O)NC(=NC)O1)C2=CNC3=CC=CC=C32
• Peso molecolare: 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
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

HeLa (62764 Activities)

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Obiettivi associati (non umani)

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ethanol, methanol, DMSO, DMF, and water (poor).
• Indice di rifrazione: n20D1.67 (Predicted)
• Punto di ebollizione (°C): 420.75° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 186.82° C (Predicted)
• Peso molecolare: 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