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LUF5981

CAT: 0804-HY-111088Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-111088Size:1 Each
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Description
LUF5981 is a relatively potent adenosine A2A receptor (A2A) antagonist with pIC50 value of 6.7[1].
CAS Number
929641-63-4
UNSPSC
12352005
Target
Adenosine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/luf5981.html
Smiles
C12=NC(C3=CC=CC=C3)=CC(C4=CC=CC=C4)=C1N=C(C5CCCCC5)N2
Molecular Formula
C24H23N3
Molecular Weight
353.46
References & Citations
[1]Fan Fan, et al. The integration of pharmacophore-based 3D QSAR modeling and virtual screening in safety profiling: A case study to identify antagonistic activities against adenosine receptor, A2A, using 1,897 known drugs. PLoS One. 2019 Jan 3;14 (1) :e0204378.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CAS Number929641-63-4
PubChem CID16109435
IUPAC Name2-cyclohexyl-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
Molecular FormulaC24H23N3
Molecular Weight353.5
XLogP6.2
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity462
SMILES
C1CCC(CC1)C2=NC3=C(N2)C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)
InChIKey
DXBBMCIVYYJMJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CAS: 929641-63-4
CID: 16109435
Formula: C24H23N3
MW: 353.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.5
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass353.189197746
Monoisotopic Mass353.189197746
Topological Polar Surface Area41.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity462
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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