GSK-3 inhibitor 1 - ≥98% , CAS No.603272-51-1

CAS: 603272-51-1 Cat. No.: G651337 Molecular Weight: 437.85 PubChem CID: 78357782

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

GSK-3 inhibitor 1 (compound core 3) is a GSK-3 inhibitor that induces stem/progenitor cell self-renewal (e.g. induces stem/progenitor cell proliferation while maintaining the ability to differentiate into tissue cells in the progeny)

In Vitro

GSK-3 inhibitor 1 can be used to induce, promote or enhance the growth, proliferation or regeneration of inner ear tissues such as inner ear supporting cells or inner ear hair cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:GSK-3

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

GSK-3 inhibitor 1 (compound core 3) is a GSK-3 inhibitor that induces stem/progenitor cell self-renewal (e.g. induces stem/progenitor cell proliferation while maintaining the ability to differentiate into tissue cells in the progeny).

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN2C=C(C3=CC(=CC(=C32)CN1)F)C4=C(C(=O)NC4=O)C5=CN=C6N5C=CC=C6.Cl
• IUPAC Name: 3-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione;hydrochloride
• InChIKey: CXXAOCQHGIGIBJ-UHFFFAOYSA-N
• INCHI: 1S/C22H16FN5O2.ClH/c23-13-7-12-9-24-4-6-27-11-15(14(8-13)20(12)27)18-19(22(30)26-21(18)29)16-10-25-17-3-1-2-5-28(16)17;/h1-3,5,7-8,10-11,24H,4,6,9H2,(H,26,29,30);1H
• Isomeric SMILES: C1CN2C=C(C3=CC(=CC(=C32)CN1)F)C4=C(C(=O)NC4=O)C5=CN=C6N5C=CC=C6.Cl
• PubChem CID: 78357782
• Molecular Weight: 437.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-benzodiazepines
• Alternative Parents: Indoles Imidazopyridines Imidazo[1,2-a]pyridines Aralkylamines Maleimides Substituted pyrroles Pyridines and derivatives Aryl fluorides Benzenoids N-substituted imidazoles Quaternary ammonium salts Pyrrolines Dicarboximides N-unsubstituted carboxylic acid imides Heteroaromatic compounds Azacyclic compounds Dialkylamines Organic zwitterions Carbonyl compounds Organic oxides Organofluorides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,4-benzodiazepine - Imidazo[1,2-a]pyridine - Indole or derivatives - Indole - Imidazopyridine - Aralkylamine - Maleimide - Aryl fluoride - Aryl halide - N-substituted imidazole - Pyridine - Substituted pyrrole - Benzenoid - Azole - Carboxylic acid imide, n-unsubstituted - Heteroaromatic compound - Dicarboximide - Quaternary ammonium salt - Pyrroline - Pyrrole - Carboxylic acid imide - Imidazole - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 12.5 mg/mL (28.55 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 437.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 437.105 Da
• Monoisotopic Mass: 437.105 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 787.000
• 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: 2

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