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GSK2647544

CAT: 0931-T63421-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T63421-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1380426-95-8
Target
Others, Phospholipase
Related Pathways
Metabolism, Others
Bioactivity
GSK2647544 is an orally active selective inhibitor of Lp-PLA2, a calcium non-dependent phospholipase A2 secreted primarily by monocyte-derived macrophages that exhibits pro-inflammatory effects.
Smiles
O(C1=CC(C(F)(F)F)=C(Cl)C=C1)C2=CC=C(CCOC=3NC(=O)C(CC=4C=NC=NC4)=CN3)C=C2
Molecular Formula
C24H18ClF3N4O3
Molecular Weight
502.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gsk-2647544

an inhibitor of lipoprotein-associated phospholipase A2; structure in first source

CAS Number1380426-95-8
PubChem CID57336782
IUPAC Name2-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-one
Molecular FormulaC24H18ClF3N4O3
Molecular Weight502.9
XLogP4.9
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity780
SMILES
C1=CC(=CC=C1CCOC2=NC=C(C(=O)N2)CC3=CN=CN=C3)OC4=CC(=C(C=C4)Cl)C(F)(F)F
InChI
InChI=1S/C24H18ClF3N4O3/c25-21-6-5-19(10-20(21)24(26,27)28)35-18-3-1-15(2-4-18)7-8-34-23-31-13-17(22(33)32-23)9-16-11-29-14-30-12-16/h1-6,10-14H,7-9H2,(H,31,32,33)
InChIKey
DRACNSAQZFZUKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-2647544
CAS: 1380426-95-8
CID: 57336782
Formula: C24H18ClF3N4O3
MW: 502.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.9
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass502.1019526
Monoisotopic Mass502.1019526
Topological Polar Surface Area85.7 Ų
Heavy Atom Count35
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

Alternative Products

CatalogName
BA8254-1GSK2647544

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