Penehyclidine hydrochloride - ≥99% , CAS No.151937-76-7

CAS: 151937-76-7 Cat. No.: P647786 Peso molecular: 351.91 PubChem CID: 177923

GRADE & PURITY ≥99%

Synonyms

HY-137976 | BCP13685 | UNII-0P1E1UF04I | PCHE | starbld0001629 | 0P1E1UF04I | MFCD32709946 | MS-25450 | 1-Cyclopentyl-1-phenyl-2-(quinuclidin-3-yloxy)ethanol hydrochloride | BENZENEMETHANOL, .ALPHA.-((1-AZABICYCLO(2.2.2)OCT-3-YLOXY)METHYL)-.ALPHA.-CYCLOPE

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Penehyclidine (Penequinine) hydrochloride, a anticholinergic agent, is a selective antagonist of M1 and M3 receptors. Penehyclidine hydrochloride activates NF-kβ in lung tissue and inhibits the release of inflammatory factors. Penehyclidine hydrochloride can alleviate the pulmonary inflammatory response in rats with chronic obstructive pulmonary disease (COPD) undergoing mechanical ventilation

Form:Liquid

IC50& Target:mAChR1 mAChR3 NF-κB

Specifications

Sinónimos

HY-137976 | BCP13685 | UNII-0P1E1UF04I | PCHE | starbld0001629 | 0P1E1UF04I | MFCD32709946 | MS-25450 | 1-Cyclopentyl-1-phenyl-2-(quinuclidin-3-yloxy)ethanol hydrochloride | BENZENEMETHANOL, .ALPHA.-((1-AZABICYCLO(2.2.2)OCT-3-YLOXY)METHYL)-.ALPHA.-CYCLOPE

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Penehyclidine (Penequinine) hydrochloride, a anticholinergic agent, is a selective antagonist of M1 and M3 receptors. Penehyclidine hydrochloride activates NF-kβ in lung tissue and inhibits the release of inflammatory factors. Penehyclidine hydrochloride

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1CCC(C1)C(COC2CN3CCC2CC3)(C4=CC=CC=C4)O.Cl
• IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-cyclopentyl-1-phenylethanol;hydrochloride
• InChIKey: DDTVVMRZNVIVQM-UHFFFAOYSA-N
• INCHI: 1S/C20H29NO2.ClH/c22-20(18-8-4-5-9-18,17-6-2-1-3-7-17)15-23-19-14-21-12-10-16(19)11-13-21;/h1-3,6-7,16,18-19,22H,4-5,8-15H2;1H
• Isómeros SMILES: C1CCC(C1)C(COC2CN3CCC2CC3)(C4=CC=CC=C4)O.Cl
• CAS alternativo: 151937-76-7
• PubChem CID: 177923
• Términos de entrada MeSH: (RS')-isomer of 3-(2'-phenyl-2'-cyclopentyl-2'-hydroxyethoxy)quinuclidine;(SR') isomer of 3-(2'-phenyl-2'-cyclopentyl-2'-hydroxyethoxy)quinuclidine;(SS') isomer of 3-(2'-phenyl-2'-cyclopentyl-2'-hydroxyethoxy)quinuclidine;3-(2'-phenyl-2'-cyclopentyl-2'-hy
• Peso molecular: 351.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinuclidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinuclidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinuclidines
• Alternative Parents: Piperidines Benzene and substituted derivatives Tertiary alcohols Trialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinuclidine - Benzenoid - Piperidine - Monocyclic benzene moiety - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
• 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

Propiedades químicas y físicas

• Peso molecular: 351.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 351.197 Da
• Monoisotopic Mass: 351.197 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 381.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3