Indophagolin - ≥98% , CAS No.1207660-00-1

CAS: 1207660-00-1 Cat. No.: I413408 Molecular Weight: 523.75

GRADE & PURITY ≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Indophagolin is a potent, indoline-containing autophagy inhibitor with IC50 of 140 nM. Indophagolin antagonizes the purinergic receptor P2X4, P2X1 and P2X3 with IC50 of 2.71 μM, 2.40 μM and 3.49 μM, respectively. Indophagolin also antagonizes the Gq-protein-coupled P2Y4, P2Y6, and P2Y11 receptors with IC50 of 3.4~15.4 μM. Indophagolin has a strong antagonistic effect on serotonin receptor 5-HT6 with IC50 of 1.0 μM.

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Indophagolin is a potent, indoline-containing autophagy inhibitor with IC50 of 140 nM. Indophagolin antagonizes the purinergic receptor P2X4, P2X1 and P2X3 with IC50 of 2.71 μM, 2.40 μM and 3.49 μM, respectively. Indophagolin also antagonizes the Gq-prote

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201297
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201297
• Canonical Smiles: C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)Br
• IUPAC Name: 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide
• InChIKey: OGXJZCDFFBDSJJ-UHFFFAOYSA-N
• INCHI: 1S/C19H15BrClF3N2O3S/c20-14-7-11-5-6-26(18(27)10-1-2-10)16(11)9-17(14)30(28,29)25-12-3-4-15(21)13(8-12)19(22,23)24/h3-4,7-10,25H,1-2,5-6H2
• Isomeric SMILES: C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)Br
• Molecular Weight: 523.75
• Reaxy-Rn: 46063456
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46063456&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Indoles and derivatives N-acylpyrrolidines Chlorobenzenes N-acyl amines Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids and derivatives Vinyl chlorides Vinyl bromides Chloroalkenes Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Trifluoromethylbenzene - Indole or derivatives - N-acylpyrrolidine - Halobenzene - Chlorobenzene - N-acyl-amine - Cyclopropanecarboxylic acid or derivatives - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Carboxamide group - Azacycle - Chloroalkene - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Vinyl bromide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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(Human)

P2RY4 Tchem Pyrimidinergic receptor P2Y4 (598 Activities)

Discover Target: P2RY4

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 523.799 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 521.963 Da
• Monoisotopic Mass: 521.963 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 774.000
• 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