TD114-2 , CAS No.436866-52-3

CAS: 436866-52-3 Cat. No.: T1448878 PubChem CID: 10208648

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

TD114-2 (cmpound 29) is a potent and highly selective inhibitor of glycogen synthase kinase-3β ( GSK-3β ) ( IC 50 =48 nM). TD114-2 is associated with the hydrogen bond formation of arginine 141 (ARG141) specific to GSK-3β , an amino acid that is often a negatively charged residue in other kinases, which determines the high selectivity of GSK-3β. TD114-2 can be used in the study of diabetes, neurodegenerative diseases and other diseases associated with GSK-3β.

Specifications

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.

Names and Identifiers

• Canonical Smiles: C1COCCOCCOCCOCCN2C=C(C3=CC=CC=C32)C4=C(C5=CN1C6=CC=CC=C65)C(=O)NC4=O
• IUPAC Name: 17,20,23,26-tetraoxa-4,14,29-triazahexacyclo[27.6.1.17,14.02,6.08,13.030,35]heptatriaconta-1(36),2(6),7(37),8,10,12,30,32,34-nonaene-3,5-dione
• InChIKey: GQZYZXZIMKZCBF-UHFFFAOYSA-N
• INCHI: 1S/C30H31N3O6/c34-29-27-23-19-32(25-7-3-1-5-21(23)25)9-11-36-13-15-38-17-18-39-16-14-37-12-10-33-20-24(28(27)30(35)31-29)22-6-2-4-8-26(22)33/h1-8,19-20H,9-18H2,(H,31,34,35)
• Isomeric SMILES: C1COCCOCCOCCOCCN2C=C(C3=CC=CC=C32)C4=C(C5=CN1C6=CC=CC=C65)C(=O)NC4=O
• PubChem CID: 10208648

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Macrolactams

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Macrolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Macrolactams
• Alternative Parents: Indoles Maleimides Benzenoids Pyrrolines Pyrroles N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Macrolactam - Indole - Indole or derivatives - Maleimide - Benzenoid - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Carboxylic acid imide, n-unsubstituted - Pyrrole - Pyrroline - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
• 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