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EN460

CAT: 0013-GTR19203374-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203374-01Size:1 mg
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Description
EN460 is a selective small molecule inhibitor of Endoplasmic Reticulum Oxidase 1 (ERO1α/ERO1L) . It effectively blocks ERO1L-mediated functions, including gene silencing and cell migration, and inhibits pancreatic ductal adenocarcinoma (PDAC) invasion in research models. This compound is a valuable tool for studying ER stress, tumor metastasis, and ERO1α biology in both cellular and in vivo contexts.
CAS Number
496807-64-8
Product Name Alternative
EN460, EN-460, EN 460
Purity
99.23% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:8 mg/mL (17.36 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.17 mM)
Smiles
O=C (O) C1=CC (=CC=C1Cl) N2N=C (C (=CC=3OC (=CC3) C=4C=CC=CC4) C2=O) C (F) (F) F
Molecular Formula
C22H12ClF3N2O4
Molecular Weight
460.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-chloro-5-[(4Z)-5-oxo-4-[(5-phenylfuran-2-yl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

EN460 is an organic molecular entity. It has a role as an inhibitor.

CAS Number496807-64-8
PubChem CID1016023
IUPAC Name2-chloro-5-[(4Z)-5-oxo-4-[(5-phenylfuran-2-yl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
Molecular FormulaC22H12ClF3N2O4
Molecular Weight460.8
XLogP5.4
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity809
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC(=C(C=C4)Cl)C(=O)O)C(F)(F)F
InChI
InChI=1S/C22H12ClF3N2O4/c23-17-8-6-13(10-15(17)21(30)31)28-20(29)16(19(27-28)22(24,25)26)11-14-7-9-18(32-14)12-4-2-1-3-5-12/h1-11H,(H,30,31)/b16-11-
InChIKey
RSLFQCNAOMQAIH-WJDWOHSUSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-5-[(4Z)-5-oxo-4-[(5-phenylfuran-2-yl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CAS: 496807-64-8
CID: 1016023
Formula: C22H12ClF3N2O4
MW: 460.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.8
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass460.0437690
Monoisotopic Mass460.0437690
Topological Polar Surface Area83.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity809
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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