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Rilapladib

CAT: 0013-GTR19203186-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203186-01Size:1 mg
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Description
Rilapladib (SB 659032) is a potent and selective inhibitor of Lp-PLA2 (IC50 = 230 pM) and a platelet-activating factor receptor antagonist. This small molecule is a valuable research tool for investigating atherosclerosis and neuroinflammation in both cellular and animal models.
CAS Number
412950-08-4
Product Name Alternative
Lp-PLA2, SB 659032, SB659032, SB-659032, Rilapladib
Field of Research
Metabolism Research
Purity
97.29% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (2.72 mM) ; DMSO:78 mg/mL (106.01 mM)
Smiles
COCCN1CCC (CC1) N (Cc1ccc (cc1) -c1ccc (cc1) C (F) (F) F) C (=O) Cn1c (SCc2cccc (F) c2F) cc (=O) c2ccccc12
Molecular Formula
C40H38F5N3O3S
Molecular Weight
735.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rilapladib

Rilapladib is the third genomics-derived small molecule drug arising from the Human Genome Sciences-GlaxoSmithKline collaboration to enter clinical development. It is a lipoprotein-associated phospholipase A2 (Lp-PLA2) inhibitor. Lp-PLA2 is an enzyme associated with the formation of atherosclerotic plaques.

CAS Number412950-08-4
PubChem CID9918381
IUPAC Name2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
Molecular FormulaC40H38F5N3O3S
Molecular Weight735.8
XLogP8.1
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count52
Formal Charge0
Complexity1200
SMILES
COCCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C5=CC=CC=C5C(=O)C=C4SCC6=C(C(=CC=C6)F)F
InChI
InChI=1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3
InChIKey
NNBGCSGCRSCFEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rilapladib
CAS: 412950-08-4
CID: 9918381
Formula: C40H38F5N3O3S
MW: 735.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight735.8
XLogP38.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass735.25540407
Monoisotopic Mass735.25540407
Topological Polar Surface Area78.4 Ų
Heavy Atom Count52
Formal Charge0
Complexity1200
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
MBS3604413-01Rilapladib
A13229-50Rilapladib 50mg
A13229-25Rilapladib 25mg
A13229-5Rilapladib 5mg
A13229-1Rilapladib 1mg
A13229-10Rilapladib 10mg
A13229-100Rilapladib 100mg
A13229-10mM-DRilapladib 10mM * 1mL in DMSO

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