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Varespladib (LY315920)

CAT: 1568-C07527-50mgSize: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C07527-50mgSize:50 mg
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CAS Number
172732-68-2
Target
Phospholipase (e.g. PLA)
Applications
Metabolism
Smiles
CCC1=C (C2=C (N1CC3=CC=CC=C3) C=CC=C2OCC (=O) O) C (=O) C (=O) N
Molecular Formula
C21H20N2O5
Additionnal Information
Varespladib (LY315920) is a potent and selective human non-pancreatic secretory phospholipase A2 (hnsPLA) inhibitor with IC50 of 7 nM. Phase 3.
Storage Conditions
2 years -80 in solvent

Chemical Information

Varespladib

Varespladib is a member of the class of indoles that is 1H-indole substituted by benzyl, ethyl, oxamoyl, and carboxymethoxy groups at positions 1, 2, 3, and 4, respectively. It is an oral secretory phospholipase A2 inhibitor and exhibits anti-inflammatory effects. It has a role as an anti-inflammatory drug, an antidote and an EC 3.1.1.4 (phospholipase A2) inhibitor. It is a primary carboxamide, a member of benzenes, a member of indoles, a monocarboxylic acid, an aromatic ether and a dicarboxylic acid monoamide. It is a conjugate acid of a varespladib(1-).

CAS Number172732-68-2
PubChem CID155815
IUPAC Name2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acid
Molecular FormulaC21H20N2O5
Molecular Weight380.4
XLogP2.8
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity589
SMILES
CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)N
InChI
InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
InChIKey
BHLXTPHDSZUFHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Varespladib
CAS: 172732-68-2
CID: 155815
Formula: C21H20N2O5
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass380.13722174
Monoisotopic Mass380.13722174
Topological Polar Surface Area112 Ų
Heavy Atom Count28
Formal Charge0
Complexity589
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

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