GRADE & PURITY ≥97%

Synonyms

HY-137884 | I-5600 | NSC13964 | NSC-13964 | SY059874 | CHEBI:169991 | FT-0615876 | Indoxyl acetate | Indol-3-ol, acetate | 1H-Indol-3-yl acetate | 3-Indolyl acetate | MFCD00014561 | DTXSID6060559 | 1H-Indol-3-ol, 3-acetate | EINECS 210-154-2 | Indoxyl ace

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Indoxyl acetate has been used as a colorimetric substrate for differentiating esterases from various microbiological species.

Application：

ndoxyl acetate:

has been used to prepare free indoxyl for fermentor feeds and for in vitro 3-deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase inactivation assays；

may be used as the potential substrate for the evaluation of carbonic anhydrases (CAs) esterase activity；

may be used to prepare indoxyl acetate differential disk to evaluate the indoxyl acetate hydrolysis test for the differentiation of Campylobacter species；

Specifications

Synonyms

HY-137884 | I-5600 | NSC13964 | NSC-13964 | SY059874 | CHEBI:169991 | FT-0615876 | Indoxyl acetate | Indol-3-ol, acetate | 1H-Indol-3-yl acetate | 3-Indolyl acetate | MFCD00014561 | DTXSID6060559 | 1H-Indol-3-ol, 3-acetate | EINECS 210-154-2 | Indoxyl ace

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Indoxyl acetate (IA) can be used as a substrate to detect acetylcholinesterase (AChE) activity. It may also have the potential to be used as a suitable substrate for fast and easy detection of lipase activity；

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)OC1=CNC2=CC=CC=C21
• IUPAC Name: 1H-indol-3-yl acetate
• InChIKey: JBOPQACSHPPKEP-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
• Isomeric SMILES: CC(=O)OC1=CNC2=CC=CC=C21
• WGK Germany: 3
• RTECS: AI3325000
• Molecular Weight: 175.18
• Beilstein: 143086
• Reaxy-Rn: 143086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143086&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: Indoles
• Alternative Parents: Substituted pyrroles Benzenoids Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Associated Targets(non-human)

Slc22a6 Solute carrier family 22 member 6 (141 Activities)

Discover Target: Slc22a6

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol, water, chloroform, dichloromethane and methanol.
• Sensitivity: Moisture & air & light sensitive
• Melt Point(°C): 128-131°C
• Molecular Weight: 175.180 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 175.063 Da
• Monoisotopic Mass: 175.063 Da
• Topological Polar Surface Area: 42.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

References

1. Feiyi Wu, Min Wang.  (2018)  A Portable Smartphone-Based Sensing System Using a 3D-Printed Chip for On-Site Biochemical Assays.  SENSORS,  18  (11): (4002).  [PMID:30453578] [10.3390/s18114002]