levetimide - Moligand™, ≥98% , Antagonist of M 2 receptor, CAS No.21888-99-3, Antagonist of M 2 receptor

CAS: 21888-99-3 Cat. No.: L611504 Formule: C₂₃H₂₆N₂O₂ Poids moléculaire: 362.46

GRADE & PURITY Moligand™, ≥98%

Synonyms

(3R)-3-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]piperidine-2,6-dione | (S)-1'-Benzyl-3-phenyl-[3,4'-bipiperidine]-2,6-dione | Q27080260 | A937280 | (3R)-3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione | (3,4'-Bipiperidine)-2,6-dione, 3-phenyl-1'-(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Levetimide is a potent and stereoselective inhibitor of [3H](+)pentazocine binding, with a Ki of 2.2 nM

Specifications

Synonymes

(3R)-3-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]piperidine-2,6-dione | (S)-1'-Benzyl-3-phenyl-[3,4'-bipiperidine]-2,6-dione | Q27080260 | A937280 | (3R)-3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione | (3,4'-Bipiperidine)-2,6-dione, 3-phenyl-1'-(

Spécifications et pureté

Moligand™, ≥98%

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.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of M 2 receptor

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4
• IUPAC Name: (3R)-3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione
• InChIKey: LQQIVYSCPWCSSD-QHCPKHFHSA-N
• INCHI: 1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1
• Isomères SMILES: C1CN(CCC1[C@]2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4
• CAS alternatif: 21888-99-3
• Termes d'entrée MeSH: levetimide
• Poids moléculaire: 362.46

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: Phenylpiperidines Piperidinediones Phenylmethylamines Benzylamines Delta lactams Aralkylamines N-unsubstituted carboxylic acid imides Dicarboximides Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Phenylpiperidine - Benzylamine - Phenylmethylamine - Piperidinedione - Delta-lactam - Aralkylamine - Piperidinone - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Lactam - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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

Cibles associées (humaines)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (2 Activities)

Discover Target: CHRM2

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

Propriétés chimiques et physiques

• Poids moléculaire: 362.500 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 362.199 Da
• Monoisotopic Mass: 362.199 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 528.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1