LP-12 hydrochloride - ≥98% , CAS No.1185136-22-4

CAS: 1185136-22-4 Cat. No.: L274651 Peso molecular: 518.13

GRADE & PURITY ≥98%

Synonyms

4-(2-Diphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-piperazinehexanamidehydrochloride | LP 12 hydrochloride hydrate | 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide;hydrochloride | LP 12 hydrochloride | DTXSID60101

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

4-(2-Diphenyl)-N-(1, 2, 3, 4-tetrahydronaphthalen-1-yl)-1-piperazinehexanamidehydrochloride | LP 12 hydrochloride hydrate | 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1, 2, 3, 4-tetrahydronaphthalen-1-yl)hexanamide;hydrochloride | LP 12 hydrochloride | DTXSID60101

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

5-HT 7 agonist. Selective over D 2, 5-HT 1A and 5-HT 2A receptors (K i values are 0.13, 224, 60.9 and >1000 nM, respectively). Shows pro-nociceptive effect.

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Tipo de acción

AGONIST

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CC(C2=CC=CC=C2C1)NC(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4C5=CC=CC=C5.Cl
• IUPAC Name: 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide;hydrochloride
• InChIKey: XNDUOTNYUWDFKR-UHFFFAOYSA-N
• INCHI: 1S/C32H39N3O.ClH/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27;/h1,3-4,6-9,12-14,16-17,19,30H,2,5,10-11,15,18,20-25H2,(H,33,36);1H
• Isómeros SMILES: C1CC(C2=CC=CC=C2C1)NC(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4C5=CC=CC=C5.Cl
• Peso molecular: 518.13
• Reaxy-Rn: 29821629
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29821629&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Biphenyls and derivatives Tetralins Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines N-acyl amines Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Phenylpiperazine - N-arylpiperazine - Tetralin - Aniline or substituted anilines - Dialkylarylamine - N-alkylpiperazine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

HTR1A Tclin 5-hydroxytryptamine receptor 1A (0 Activities)

Discover Target: HTR1A

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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM and in ethanol to 100 mM
• Peso molecular: 518.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 517.286 Da
• Monoisotopic Mass: 517.286 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 654.000
• 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: 2

XLogP3