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Ecopladib

CAT: 1410-M32903-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M32903-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ecopladib (PLA 725) is a sub-micromolar inhibitor of cytosolic phospholipase A2α (cPLA2α), with IC50s of 0.15 μM and 0.11 μM in the GLU micelle and rat whole blood assays, respectively.
CAS Number
381683-92-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
748.11
Molecular Formula
C39H33Cl3N2O5S
Notes
Research use only, not for human use.
Receptor
Phospholipase

Chemical Information

Ecopladib

Ecopladib is a small molecule drug. The usage of the INN stem '-pladib' in the name indicates that Ecopladib is a phospholipase A2​ inhibitor. Ecopladib has a monoisotopic molecular weight of 746.12 Da.

CAS Number381683-92-7
PubChem CID204106
IUPAC Name4-[2-[1-benzhydryl-5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid
Molecular FormulaC39H33Cl3N2O5S
Molecular Weight748.1
XLogP9.5
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count50
Formal Charge0
Complexity1150
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=CC(=C(C=C5)Cl)Cl)CCOC6=CC=C(C=C6)C(=O)O
InChI
InChI=1S/C39H33Cl3N2O5S/c40-30-14-18-36-33(24-30)32(20-22-49-31-15-12-29(13-16-31)39(45)46)37(19-21-43-50(47,48)25-26-11-17-34(41)35(42)23-26)44(36)38(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-18,23-24,38,43H,19-22,25H2,(H,45,46)
InChIKey
FMMCHWHNSUBYAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ecopladib
CAS: 381683-92-7
CID: 204106
Formula: C39H33Cl3N2O5S
MW: 748.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight748.1
XLogP39.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass746.117576
Monoisotopic Mass746.117576
Topological Polar Surface Area106 Ų
Heavy Atom Count50
Formal Charge0
Complexity1150
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
HY-U00037Ecopladib

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