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LEI110

CAT: 0931-T9753-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T9753-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2313525-90-3
Target
Phospholipase, Others
Related Pathways
Others, Metabolism
Purity
0.988
Bioactivity
LEI110 is a potent Phospholipase A2, group XVI (PLA2G16) inhibitor with an Ki value of 20 nM. LEI110 is a selective pan-inhibitor of the HRASLS family of thiol hydrolases (i.e., PLA2G16, HRASLS2, RARRES3 and iNAT) .
Smiles
FC(F)(F)c1ccc(Oc2ccc(CCNC(=O)C(=O)CCCc3ccccc3)cc2)nc1
Molecular Formula
C25H23F3N2O3
Molecular Weight
456.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-oxo-5-phenyl-N-(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)phenethyl)pentanamide
CAS Number2313525-90-3
PubChem CID156013201
IUPAC Name2-oxo-5-phenyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pentanamide
Molecular FormulaC25H23F3N2O3
Molecular Weight456.5
XLogP5.3
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity615
SMILES
C1=CC=C(C=C1)CCCC(=O)C(=O)NCCC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C25H23F3N2O3/c26-25(27,28)20-11-14-23(30-17-20)33-21-12-9-19(10-13-21)15-16-29-24(32)22(31)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-14,17H,4,7-8,15-16H2,(H,29,32)
InChIKey
DZHZISUSQMPBJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-oxo-5-phenyl-N-(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)phenethyl)pentanamide
CAS: 2313525-90-3
CID: 156013201
Formula: C25H23F3N2O3
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass456.16607709
Monoisotopic Mass456.16607709
Topological Polar Surface Area68.3 Ų
Heavy Atom Count33
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

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