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2-(2-cyclopropaneamidopyridin-4-yl)-4-methoxy-N-{3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]propyl}-1,3-thiazole-5-carboxamide , CAS No.C609061, Inhibitor of acetylcholinesterase (Cartwright blood group);Inhibitor of glycogen synthase kinase 3 beta
Basic Description
Synonyms
dual GSK-3β/AChE inhibitor | compound 2f
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of acetylcholinesterase (Cartwright blood group);Inhibitor of glycogen synthase kinase 3 beta
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Benzoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Acridines
Alternative Parents
4-aminoquinolines Thiazolecarboxamides N-arylamides 2-heteroaryl carboxamides 2,4,5-trisubstituted thiazoles Secondary alkylarylamines Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Cyclopropanecarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acridine - 4-aminoquinoline - Aminoquinoline - 2-heteroaryl carboxamide - N-arylamide - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - 2,4,5-trisubstituted 1,3-thiazole - Secondary aliphatic/aromatic amine - Aminopyridine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyridine - Cyclopropanecarboxylic acid or derivatives - Heteroaromatic compound - Thiazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-(2-cyclopropaneamidopyridin-4-yl)-4-methoxy-N-{3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]propyl}-1,3-thiazole-5-carboxamide
INCHI
InChI=1S/C30H32N6O3S/c1-39-29-26(40-30(36-29)19-13-16-31-24(17-19)35-27(37)18-11-12-18)28(38)33-15-6-14-32-25-20-7-2-4-9-22(20)34-23-10-5-3-8-21(23)25/h2,4,7,9,13,16-18H,3,5-6,8,10-12,14-15H2,1H3,(H,32,34)(H,33,38)(H,31,35,37)
InChIKey
XYSJVXMQSXKJCN-UHFFFAOYSA-N
Smiles
COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2c1cccc2)c1ccnc(c1)NC(=O)C1CC1
Isomeric SMILES
COC1=C(SC(=N1)C2=CC(=NC=C2)NC(=O)C3CC3)C(=O)NCCCNC4=C5CCCCC5=NC6=CC=CC=C64
PubChem CID
132427688
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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