Lesopitron (dihydrochloride)

CAT: 0804-HY-101609-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-101609-01Size:1 mg

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Description

Lesopitron dihydrochloride is a full and selective 5-HT1A receptor agonist with IC50 of 125 nM in rat hippocampal membranes.

CAS Number

132449-89-9

Product Name Alternative

E4424

UNSPSC

12352005

Target

5-HT Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Applications

Neuroscience-Neuromodulation

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/Lesopitron_(dihydrochloride).html

Purity

98.0

Solubility

DMSO : 12.5 mg/mL (ultrasonic)

Smiles

ClC1=CN(CCCCN2CCN(C3=NC=CC=N3)CC2)N=C1.[H]Cl.[H]Cl

Molecular Formula

C15H23Cl3N6

Molecular Weight

393.74

References & Citations

[1]Haj-Dahmane S, et al. Interactions of Lesopitron (E-4424) with central 5-HT1A receptors: in vitro and in vivo studies in the rat. Eur J Pharmacol. 1994 Apr 1;255 (1-3) :185-96.|[2]Ballarín M, et al. Effect of acute administration of the 5-HT1A receptor ligand, Lesopitron, on rat cortical 5-HT and dopamine turnover. Br J Pharmacol. 1994 Oct;113 (2) :425-30.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

Phase 2

Isoform

5-HT1 Receptor; mLAG-3

Chemical Information

Lesopitron dihydrochloride

CAS Number	132449-89-9
PubChem CID	60812
IUPAC Name	2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine;dihydrochloride
Molecular Formula	C15H23Cl3N6
Molecular Weight	393.7
Topological Polar Surface Area	50.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	317

SMILES

C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=NC=CC=N3.Cl.Cl

InChI

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

InChIKey

RGDLQJUAYQRGBC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132449-89-9

CID: 60812

Formula: C15H23Cl3N6

MW: 393.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	393.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	392.104978
Monoisotopic Mass	392.104978
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	317
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Lesopitron (dihydrochloride)

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