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E 2012 (Standard)

CAT: 0804-HY-10016RSize: 1 EachDry Ice: NoHazardous: No
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Description
E 2012 (Standard) is the analytical standard of E 2012. This product is intended for research and analytical applications. E 2012 is a potent gamma (γ) secretase modulator without affecting Notch processing. E 2012 inhibits 3β-hydroxysterol Δ24-reductase (DHCR24) at the final step in the cholesterol biosynthesis. E 2012 aims at Alzheimer's disease by reduction of amyloid β-42, and induces cataract following repeated doses in the rat[1].
CAS Number
870843-42-8
Target
Reference Standards; γ-secretase
Related Pathways
Neuronal Signaling; Others; Stem Cell/Wnt
Field of Research
Neurological Disease
Smiles
O=C(N([C@H](C1=CC=C(C=C1)F)C)CCC/2)C2=C\C3=CC=C(N4C=NC(C)=C4)C(OC)=C3
Molecular Formula
C25H26FN3O2
Molecular Weight
419.49
References & Citations
[1]Nakano-Ito K, et al. E2012-induced cataract and its predictive biomarkers. Toxicol Sci. 2014 Jan;137 (1) :249-58.|[2]Portelius E, Van Broeck B, Andreasson U, Gustavsson MK, Mercken M, Zetterberg H, Borghys H, Blennow K.Acute effect on the Aβ isoform pattern in CSF in response to γ-secretase modulator and inhibitor treatment in dogs.J Alzheimers Dis. 2010;21 (3) :1005-12.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

E-2012

E-2012 is a gamma secretase modulator that is being evaluated as a potential new treatment for Alzheimer's disease.

CAS Number870843-42-8
PubChem CID11560787
IUPAC Name(3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
Molecular FormulaC25H26FN3O2
Molecular Weight419.5
XLogP4.3
Topological Polar Surface Area47.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity649
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C/3\CCCN(C3=O)[C@@H](C)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1
InChIKey
PUOAETJYKQITMO-LANLRWRYSA-N
Chemical Structure
2D Structure
2D structure of E-2012
CAS: 870843-42-8
CID: 11560787
Formula: C25H26FN3O2
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass419.20090524
Monoisotopic Mass419.20090524
Topological Polar Surface Area47.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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