YL 0919 , CAS No.1339058-04-6

CAS: 1339058-04-6 Cat. No.: Y412295 Formule: C₁₈H₂₃ClN₂O₂ Poids moléculaire: 334.8 PubChem CID: 122412736

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

YL0919 is a novel antidepressant candidate with dual activity as a 5-HT1A receptor agonist and a selective serotonin reuptake inhibitor. YL-0919 inhibits the uptake of 5-HT with IC50 of 1.78 nM and 1.93 nM into rat cerebral cortical synaptosomes and human recombinant cells, respectively.

Specifications

Mécanismes biochimiques et physiologiques

YL0919 is a novel antidepressant candidate with dual activity as a 5-HT1A receptor agonist and a selective serotonin reuptake inhibitor. YL-0919 inhibits the uptake of 5-HT with IC50 of 1.78 nM and 1.93 nM into rat cerebral cortical synaptosomes and human

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Sourires canoniques

C1CN(CCC1(CN2C=CC=CC2=O)O)CC3=CC=CC=C3.Cl

IUPAC Name

1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]pyridin-2-one;hydrochloride

InChIKey

OXILSFMNCPZGAH-UHFFFAOYSA-N

INCHI

1S/C18H22N2O2.ClH/c21-17-8-4-5-11-20(17)15-18(22)9-12-19(13-10-18)14-16-6-2-1-3-7-16;/h1-8,11,22H,9-10,12-15H2;1H

PubChem CID

122412736

Poids moléculaire

334.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Hydroxypyridines Dihydropyridines Aralkylamines Tertiary alcohols Heteroaromatic compounds 1,3-aminoalcohols Trialkylamines Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Phenylmethylamine - Benzylamine - Hydroxypyridine - Aralkylamine - Dihydropyridine - Benzenoid - Pyridine - Hydropyridine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 334.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 334.145 Da
• Monoisotopic Mass: 334.145 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 444.000
• 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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