Lesopitron dihydrochloride - ≥96% , CAS No.132449-89-9

CAS: 132449-89-9 Cat. No.: L649914 Molecular Weight: 393.74 PubChem CID: 60812

GRADE & PURITY ≥96%

Synonyms

Lesopitron (dihydrochloride) | HY-101609 | 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine;dihydrochloride | 4T5L4T8473 | DTXSID00157588 | 2-(4-(4-(4-Chloro-1H-pyrazol-1-yl)butyl)-1-piperazinyl)pyrimidine dihydrochloride | 2-(4-(4-(4-chloro-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Lesopitron dihydrochloride is a full and selective 5-HT 1A receptor agonist with IC 50 of 125 nM in rat hippocampal membranes.

In Vitro

In vitro binding and autoradiographic studies with [ 3 H]8-OH-DPAT and [ 3 H]Lesopitron as radioligands confirm that Lesopitron binds to 5-HT 1A receptors in the rat brain with a relatively high affinity (pK i =7.35). As expected of a full agonist at postsynaptic 5-HT 1A receptors, Lesopitron (IC 50 =125 nM) inhibits forskolin-stimulated adenylate cyclase activity in rat hippocampal membranes to the same extent as 5-HT. Lesopitron inhibits the firing of serotoninergic neurons both in vitro (in brainstem slices, IC 50 =120 nM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Lesopitron inhibits the firing of serotoninergic neurons both in vivo (in chloral hydrate-anaesthetized rats, ID 50 =35 μg/kg i.v.) . Lesopitron administered at a dose which induces anxiolytic behaviour in rats (30 μg/kg, i.p.) markedly reduces 5-HT levels (to 45% of the basal value) in cortical perfusates. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Animal administration

Rats Male Wistar rats weighing 270-300 g, are used. Lesopitron is administered either through the dialysis probe (dissolved in artificial CSF) or i.p. (dissolved in 0.9% saline, 2 mL/kg body weight). aladdin has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:5-HT 1A Receptor 125 nM (IC 50 , in rat hippocampal membranes)

Specifications

Synonyms

Lesopitron (dihydrochloride) | HY-101609 | 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine;dihydrochloride | 4T5L4T8473 | DTXSID00157588 | 2-(4-(4-(4-Chloro-1H-pyrazol-1-yl)butyl)-1-piperazinyl)pyrimidine dihydrochloride | 2-(4-(4-(4-chloro-

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Lesopitron dihydrochloride is a full and selective 5-HT 1A receptor agonist with IC 50 of 125 nM in rat hippocampal membranes.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

AGONIST

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=NC=CC=N3.Cl.Cl
• IUPAC Name: 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine;dihydrochloride
• InChIKey: RGDLQJUAYQRGBC-UHFFFAOYSA-N
• INCHI: 1S/C15H21ClN6.2ClH/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15;;/h3-5,12-13H,1-2,6-11H2;2*1H
• Isomeric SMILES: C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=NC=CC=N3.Cl.Cl
• Alternate CAS: 132449-89-9
• PubChem CID: 60812
• MeSH Entry Terms: 2-(4-(4-(4-chloro-1-pyrazolyl)butyl)-1-piperazinyl)pyrimidine;E 4424;E-4424;E4424;lesopitron
• Molecular Weight: 393.74

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Dialkylarylamines N-alkylpiperazines Aminopyrimidines and derivatives Aryl chlorides Pyrazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - Pyrazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

Chemical and Physical Properties

• Molecular Weight: 393.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 392.105 Da
• Monoisotopic Mass: 392.105 Da
• Topological Polar Surface Area: 50.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 317.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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