LP-44 - Moligand™ , Agonist of 5-HT 1A receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 7 receptor;Agonist of D 2 receptor, CAS No.L611579, Agonist of 5-HT 1A receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 7 receptor;Agonist of D 2 receptor

CAS: L611579 Cat. No.: L611579 PubChem CID: 11224758

GRADE & PURITY Moligand™

Synonyms

NCGC00167765-07 | DTXSID50459307 | SCHEMBL4463237 | NCGC00167765-01 | LP-44 | NCGC00167765-02 | GTPL8435 | 6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide | Piperazinehexanamide derivative, 5 | SDCCGSBI-0633769

Storage

Room temperature

Specifications

Synonymes

NCGC00167765-07 | DTXSID50459307 | SCHEMBL4463237 | NCGC00167765-01 | LP-44 | NCGC00167765-02 | GTPL8435 | 6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide | Piperazinehexanamide derivative, 5 | SDCCGSBI-0633769

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of 5-HT 1A receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 7 receptor;Agonist of D 2 receptor

Noms et identifiants

• Sourires canoniques: CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2
• IUPAC Name: 6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
• InChIKey: JNBBJUHCODFLEG-UHFFFAOYSA-N
• INCHI: 1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
• Isomères SMILES: CSC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=CC=CC=C34
• PubChem CID: 11224758

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Tetralins Thiophenol ethers Aniline and substituted anilines Dialkylarylamines Alkylarylthioethers N-alkylpiperazines N-acyl amines Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tetralin - Aryl thioether - Tertiary aliphatic/aromatic amine - Thiophenol ether - Aniline or substituted anilines - Dialkylarylamine - N-alkylpiperazine - Alkylarylthioether - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 451.700 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 451.266 Da
• Monoisotopic Mass: 451.266 Da
• Topological Polar Surface Area: 60.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 565.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1