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Loreclezole

CAT: 0804-HY-105272-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-105272-02Size:10 mM - 1 mL
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Description
Loreclezole, an antiepileptic compound, is a selective GABAA receptor modulator and acts as a positive allosteric modulator of β2 or β3-subunit containing receptors[1][2].
CAS Number
117857-45-1
Product Name Alternative
R 72063
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
GABA Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/loreclezole.html
Purity
99.97
Solubility
DMSO : 110 mg/mL (ultrasonic)
Smiles
Cl/C(C1=C(C=C(Cl)C=C1)Cl)=C\N2C=NC=N2
Molecular Formula
C10H6Cl3N3
Molecular Weight
274.53
Precautions
H302, H315, H319, H335
References & Citations
[1]Wingrove PB, et al. The modulatory action of loreclezole at the gamma-aminobutyric acid type A receptor is determined by a single amino acid in the beta 2 and beta 3 subunit. Proc Natl Acad Sci U S A. 1994 May 10;91 (10) :4569-73.|[2]Sanna E, et al. Direct activation of GABAA receptors by loreclezole, an anticonvulsant drug with selectivity for the beta-subunit. Neuropharmacology. 1996;35 (12) :1753-60.|[3]Green AR, et al. A behavioural and neurochemical study in rats of the pharmacology of loreclezole, a novel allosteric modulator of the GABAA receptor. Neuropharmacology. 1996;35 (9-10) :1243-50.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Loreclezole

1-[2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole is a dichlorobenzene.

CAS Number117857-45-1
PubChem CID3034012
IUPAC Name1-[(Z)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
Molecular FormulaC10H6Cl3N3
Molecular Weight274.5
XLogP3.8
Topological Polar Surface Area30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity272
SMILES
C1=CC(=C(C=C1Cl)Cl)/C(=C/N2C=NC=N2)/Cl
InChI
InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-
InChIKey
XGLHZTBDUXXHOM-WMZJFQQLSA-N
Chemical Structure
2D Structure
2D structure of Loreclezole
CAS: 117857-45-1
CID: 3034012
Formula: C10H6Cl3N3
MW: 274.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight274.5
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass272.962730
Monoisotopic Mass272.962730
Topological Polar Surface Area30.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity272
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes