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

CAS: 151937-76-7 Cat. No.: P647786 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1CCC(C1)C(COC2CN3CCC2CC3)(C4=CC=CC=C4)O.Cl
• Alternate CAS: 151937-76-7
• PubChem CID: 177923
• MeSH Entry Terms: (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
• Molecular Weight: 351.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinuclidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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

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