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Lp-PLA2-IN-1

CAT: 0804-HY-19757-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19757-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lp-PLA2-IN-1 is a potent Lipoprotein-associated phospholipase A2 (Lp-PLA2) inhibitor. Lp-PLA2-IN-1 has the potential for atherosclerosis, Alzheimer's disease research[1].
CAS Number
1420367-28-7
UNSPSC
12352005
Target
Phospholipase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Lp-PLA2--IN-1.html
Purity
99.18
Solubility
Ethanol : 25 mg/mL (ultrasonic)
Smiles
CN1C(N2CCC1)=CC(OCC3=CC(F)=C(OC4=CC=C(C(F)(F)F)N=C4)C(F)=C3)=NC2=O
Molecular Formula
C21H17F5N4O3
Molecular Weight
468.38
References & Citations
[1]Zehong Wan, et al. Bicyclic pyrimidone compounds. WO2013014185A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Phospholipase A

Chemical Information

Lp-PLA2-IN-1
CAS Number1420367-28-7
PubChem CID71236597
IUPAC Name8-[[3,5-difluoro-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
Molecular FormulaC21H17F5N4O3
Molecular Weight468.4
XLogP3.4
Topological Polar Surface Area67.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity780
SMILES
CN1CCCN2C1=CC(=NC2=O)OCC3=CC(=C(C(=C3)F)OC4=CN=C(C=C4)C(F)(F)F)F
InChI
InChI=1S/C21H17F5N4O3/c1-29-5-2-6-30-18(29)9-17(28-20(30)31)32-11-12-7-14(22)19(15(23)8-12)33-13-3-4-16(27-10-13)21(24,25)26/h3-4,7-10H,2,5-6,11H2,1H3
InChIKey
QJIGPJZJKXZSNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lp-PLA2-IN-1
CAS: 1420367-28-7
CID: 71236597
Formula: C21H17F5N4O3
MW: 468.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass468.12208123
Monoisotopic Mass468.12208123
Topological Polar Surface Area67.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity780
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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Alternative Products

CatalogName
MBS3615359-01Lp-PLA2-IN-1
MBS5755117Lp-PLA2 -IN-1
MBS344255-01Lp-PLA2
A12168-50Lp-PLA2 -IN-1 50mg
A12168-200Lp-PLA2 -IN-1 200mg
A12168-25Lp-PLA2 -IN-1 25mg
A12168-5Lp-PLA2 -IN-1 5mg
A12168-1Lp-PLA2 -IN-1 1mg
A12168-100Lp-PLA2 -IN-1 100mg
A12168-10Lp-PLA2 -IN-1 10mg

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