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LY 81067

CAT: 0013-GTR19198921-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198921-02Size:50 mg
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Description
LY 81067 is a novel anticonvulsant small molecule that acts by binding at or near picrotoxin-sensitive sites. It demonstrates protective efficacy in murine models against seizures induced by pentylenetetrazole and picrotoxin, supporting its use in neuroscience research for studying GABAergic neurotransmission and convulsive disorders.
CAS Number
87186-60-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
CC1=CC=C (C=2C (=NN=C (N2) N3CCC (O) CC3) C4=CC=C (C) C=C4) C=C1
Molecular Formula
C22H24N4O
Molecular Weight
360.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY 81067

structure in first source

CAS Number87186-60-5
PubChem CID135892
IUPAC Name1-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]piperidin-4-ol
Molecular FormulaC22H24N4O
Molecular Weight360.5
XLogP3.6
Topological Polar Surface Area62.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity451
SMILES
CC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCC(CC3)O)C4=CC=C(C=C4)C
InChI
InChI=1S/C22H24N4O/c1-15-3-7-17(8-4-15)20-21(18-9-5-16(2)6-10-18)24-25-22(23-20)26-13-11-19(27)12-14-26/h3-10,19,27H,11-14H2,1-2H3
InChIKey
DIASUTCRTFLJTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY 81067
CAS: 87186-60-5
CID: 135892
Formula: C22H24N4O
MW: 360.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass360.19501140
Monoisotopic Mass360.19501140
Topological Polar Surface Area62.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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