Biperiden hydrochloride - ≥97% , Muscarinic acetylcholine receptor M1 antagonist, CAS No.1235-82-1, Muscarinic acetylcholine receptor M1 antagonist

CAS: 1235-82-1 Cat. No.: B275254 Molecular Weight: 347.92 EC Number: 214-976-2

GRADE & PURITY ≥97%

Synonyms

5-((1,4-Diazepan-1-yl)sulfonyl)isoquinolin-1(2H)-one | alpha-(Bicyclo(2.2.1)hept-5-en-2-yl)-alpha-phenyl-1-piperidinepropanol hydrochloride | D02246 | WLN: L55 A CUTJ FXQR&2- AT6NTJ &GH | .alpha.-[Bicyclo[2.2.1]hept-5-en-2-yl]-.alpha.-phenyl-1-piperidinep

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5-((1, 4-Diazepan-1-yl)sulfonyl)isoquinolin-1(2H)-one | alpha-(Bicyclo(2.2.1)hept-5-en-2-yl)-alpha-phenyl-1-piperidinepropanol hydrochloride | D02246 | WLN: L55 A CUTJ FXQR&2- AT6NTJ &GH | .alpha.-[Bicyclo[2.2.1]hept-5-en-2-yl]-.alpha.-phenyl-1-piperidinep

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Potent, selective M 1 receptor antagonist (K i values are 0.48, 2.4, 3.9, 6.3 and 6.3 nM for M 1 , M 4 , M 3 , M 2 and M 5 receptors respectively). Shows antiparkinsonian effects and induces impairment of cognitive function in vivo . Orally active.

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

ANTAGONIST

Mechanism of action

Muscarinic acetylcholine receptor M1 antagonist

Note

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.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O.Cl
• IUPAC Name: 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
• InChIKey: RDNLAULGBSQZMP-UHFFFAOYSA-N
• INCHI: 1S/C21H29NO.ClH/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;1H
• Isomeric SMILES: C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O.Cl
• Molecular Weight: 347.92
• Reaxy-Rn: 8366991
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8366991&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Piperidines Benzene and substituted derivatives Tertiary alcohols 1,3-aminoalcohols Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - 1,3-aminoalcohol - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Aromatic alcohol - Hydrochloride - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: hydrochloride - piperidines - tertiary alcohol

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

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 5 mM and in DMSO to 10 mM
• Sensitivity: Moisture sensitive
• Molecular Weight: 347.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 347.202 Da
• Monoisotopic Mass: 347.202 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 422.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3