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Lp-PLA2-IN-14

CAT: 0804-HY-153560Size: 1 EachDry Ice: NoHazardous: No
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Description
Lp-PLA2-IN-14 (Compound 19) is an Lp-PLA2 inhibitor with a pIC50 of 8.4 against rhLp-PLA2. Lp-PLA2-IN-14 can be used for the research of neurodegenerative related diseases, such as Alzheimer Disease (AD), glaucoma, age-related macular degeneration (AMD) or cardiovascular diseases including atherosclerosis and the like[1].
CAS Number
2756855-66-8
UNSPSC
12352005
Target
Phospholipase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/lp-pla2-in-14.html
Solubility
10 mM in DMSO
Smiles
O=C1N=C(C2=C(N1CCC3)N3CCO2)OCC4=CC(F)=C(C(F)=C4)F
Molecular Formula
C16H14F3N3O3
Molecular Weight
353.30
References & Citations
[1]Zhenghua Gu, et al. Tricyclic pyrimidone compounds, preparation method, composition and application thereof. Patent CN113861220A.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Phospholipase A

Chemical Information

Lp-PLA2-IN-14
CAS Number2756855-66-8
PubChem CID166928912
IUPAC Name4-[(3,4,5-trifluorophenyl)methoxy]-6-oxa-1,3,9-triazatricyclo[7.3.1.05,13]trideca-3,5(13)-dien-2-one
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30
XLogP2.1
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity615
SMILES
C1CN2CCOC3=C2N(C1)C(=O)N=C3OCC4=CC(=C(C(=C4)F)F)F
InChI
InChI=1S/C16H14F3N3O3/c17-10-6-9(7-11(18)12(10)19)8-25-14-13-15-21(4-5-24-13)2-1-3-22(15)16(23)20-14/h6-7H,1-5,8H2
InChIKey
XFEWOHBVSRKLGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lp-PLA2-IN-14
CAS: 2756855-66-8
CID: 166928912
Formula: C16H14F3N3O3
MW: 353.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight353.30
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass353.09872580
Monoisotopic Mass353.09872580
Topological Polar Surface Area54.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity615
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