EN460

CAT: 0931-T15218-08Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0931-T15218-08Size:200 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

496807-64-8

Target

Others

Related Pathways

Others

Purity

0.9923

Bioactivity

EN460 is a selective inhibitor of Endoplasmic Reticulum Oxidase 1 (ERO1α), inhibiting ERO1L-mediated gene silencing and cell migration, and PDAC invasion.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	496807-64-8
PubChem CID	1016023
IUPAC Name	2-chloro-5-[(4Z)-5-oxo-4-[(5-phenylfuran-2-yl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
Molecular Formula	C22H12ClF3N2O4
Molecular Weight	460.8
XLogP	5.4
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	809

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

CAS: 496807-64-8

CID: 1016023

Formula: C22H12ClF3N2O4

MW: 460.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	460.8
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	460.0437690
Monoisotopic Mass	460.0437690
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	809
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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448187-01	EN460
217348	ERO1 Inhibitor II, EN460
303254	M/M042/EN460/RFL-390X590-1 AC Signs

EN460

Chemical Information

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