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 分子式: C₂₃H₂₆N₂O₂ 分子量: 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

概要

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

Specifications

同義語

(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'-(

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of M 2 receptor

純度

≥98%

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: C1CN(CCC1[C@]2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4
• 代替CAS番号: 21888-99-3
• MeSH用語: levetimide
• 分子量: 362.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

化学的性質と物理的性質

• 分子量: 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