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

CAS: 21200-24-8 Cat. No.: I329467 Molecular Weight: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥95%

Product Properties

• pKa: pKa: 0.96 (Predicted)

Names and Identifiers

• Pubchem Sid: 504773296
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773296
• Canonical Smiles: 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
• Isomeric SMILES: C[C@@H]([C@H]1C(=O)NC(=NC)O1)C2=CNC3=CC=CC=C32
• Molecular Weight: 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
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

HeLa (62764 Activities)

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Associated Targets(non-human)

Helicobacter pylori (3113 Activities)

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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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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol, methanol, DMSO, DMF, and water (poor).
• Refractive Index: n20D1.67 (Predicted)
• Boil Point(°C): 420.75° C at 760 mmHg (Predicted)
• Melt Point(°C): 186.82° C (Predicted)
• Molecular Weight: 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