ezurpimtrostat - Moligand™ , Inhibitor of palmitoyl-protein thioesterase 1, CAS No.1914148-72-3, Inhibitor of palmitoyl-protein thioesterase 1

CAS: 1914148-72-3 Cat. No.: E610266 PubChem CID: 121305180

GRADE & PURITY Moligand™

Synonyms

Ezurpimtrostat | Gns 561 | GNS 561 [WHO-DD] | GNS561 | GNS-561 | GTPL11991 | 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine | 1914148-72-3 | SCHEMBL17713568 | UNII-MS6LGW5JFK | AKOS040757126 | MS6LGW5JFK | 2-Quinolinamine

Storage

Room temperature

Specifications

Synonyms

Ezurpimtrostat | Gns 561 | GNS 561 [WHO-DD] | GNS561 | GNS-561 | GTPL11991 | 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine | 1914148-72-3 | SCHEMBL17713568 | UNII-MS6LGW5JFK | AKOS040757126 | MS6LGW5JFK | 2-Quinolinamine

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of palmitoyl-protein thioesterase 1

Names and Identifiers

• Canonical Smiles: CC(C)(C)NC1CCN(CC1)c1cc(nc2ccccc12)NCc1ccc(cc1)Cl
• IUPAC Name: 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine
• InChIKey: QVXSJSXAVQJXOV-UHFFFAOYSA-N
• INCHI: 1S/C25H31ClN4/c1-25(2,3)29-20-12-14-30(15-13-20)23-16-24(28-22-7-5-4-6-21(22)23)27-17-18-8-10-19(26)11-9-18/h4-11,16,20,29H,12-15,17H2,1-3H3,(H,27,28)
• Isomeric SMILES: CC(C)(C)NC1CCN(CC1)C2=CC(=NC3=CC=CC=C32)NCC4=CC=C(C=C4)Cl
• PubChem CID: 121305180

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Dialkylarylamines Methylpyridines Chlorobenzenes Aminopyridines and derivatives Piperidines Imidolactams Heteroaromatic compounds Trialkylamines Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Enamines Dialkylamines Chloroalkenes Carboximidamides Azacyclic compounds Amidines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Methylpyridine - Halobenzene - Chlorobenzene - Aminopyridine - Imidolactam - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl chloride - Secondary amine - Enamine - Secondary aliphatic amine - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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)

PPT1 Tbio Palmitoyl-protein thioesterase 1 (0 Activities)

Discover Target: PPT1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)