Indican - ≥98% , CAS No.487-60-5

CAS: 487-60-5 Cat. No.: I133857 Molecular Weight: 295.29 Beilstein Registry Number: 21(3/4)748 EC Number: 610-433-2

GRADE & PURITY ≥98%

Synonyms

A871882 | A-D-glucoside | Indoxyl beta-D-glucoside, Vetec(TM) reagent grade, 97% | (5Z,9alpha,11alpha,13E,15S)-9,11-epoxy-15-hydroxy-Thromboxa-5,13-dien-1-oate | Indoxyl beta-D-glucoside | 3-(beta-D-Glucosido)indole, Plant indican | D94780 | INDOXYL ?-GLU

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A871882 | A-D-glucoside | Indoxyl beta-D-glucoside, Vetec(TM) reagent grade, 97% | (5Z, 9alpha, 11alpha, 13E, 15S)-9, 11-epoxy-15-hydroxy-Thromboxa-5, 13-dien-1-oate | Indoxyl beta-D-glucoside | 3-(beta-D-Glucosido)indole, Plant indican | D94780 | INDOXYL ?-GLU

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Chromogenic substrate used in the detection of β-D-glucosidase activity. Used in filter assays to screen water sources and other media for various enterococci and C.perferingens contamination. Upon enzymatic action, forms a blue precipitate.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758770
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758770
• Canonical Smiles: C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O
• IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
• InChIKey: XVARCVCWNFACQC-RKQHYHRCSA-N
• INCHI: 1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/m1/s1
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
• Molecular Weight: 295.29
• Beilstein: 21(3/4)748
• Reaxy-Rn: 54863578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54863578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Hexoses Indoles Substituted pyrroles Oxanes Benzenoids Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Azacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hexose monosaccharide - O-glycosyl compound - Indole - Indole or derivatives - Monosaccharide - Oxane - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Secondary alcohol - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• External Descriptors: beta-D-glucoside - indolyl carbohydrate - exopolysaccharide

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)

BGC-823 (3035 Activities)

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HCT-8 (3484 Activities)

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MCF7 (126967 Activities)

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A549 (127892 Activities)

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Bel-7402 (4577 Activities)

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Associated Targets(non-human)

Human alphaherpesvirus 1 (11089 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in 0.1M Water: 20EGC
• Sensitivity: Heat & Air sensitive
• Specific Rotation[α]: -64° (C=2,H2O)
• Melt Point(°C): 183 °C
• Molecular Weight: 295.290 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 295.106 Da
• Monoisotopic Mass: 295.106 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 356.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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. Xinyu Zhang, Sufang Li, Tingru Lin, Liangying Gan, Li Zhu, Li Zuo.  (2025)  Pegmolesatide ameliorates indoxyl sulfate-induced cardiomyocyte hypertrophy through modulating the EPOR-CD131-dependent JAK2/STAT3 signaling pathway.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:41092772] [10.1016/j.intimp.2025.115643]