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E-2012

CAS No.:
870843-42-8
Catalog Number:
AG008FM5
Molecular Formula:
C25H26FN3O2
Molecular Weight:
419.4912
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
96%
1 week
United States
$196
- +
10mg
96%
1 week
United States
$265
- +
100mg
96%
1 week
United States
$1585
- +
Product Description
Catalog Number:
AG008FM5
Chemical Name:
E-2012
CAS Number:
870843-42-8
Molecular Formula:
C25H26FN3O2
Molecular Weight:
419.4912
MDL Number:
MFCD11042274
IUPAC Name:
(3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
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
InChI Key:
PUOAETJYKQITMO-LANLRWRYSA-N
SMILES:
COc1cc(ccc1n1cnc(c1)C)/C=C/1\CCCN(C1=O)[C@H](c1ccc(cc1)F)C
UNII:
3LSD4Y5F0F
Properties
Complexity:
649  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Exact Mass:
419.201g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.5g/mol
Monoisotopic Mass:
419.201g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
E2012-induced cataract and its predictive biomarkers. Toxicological sciences : an official journal of the Society of Toxicology 20140101
Design and synthesis of dihydrobenzofuran amides as orally bioavailable, centrally active γ-secretase modulators. Bioorganic & medicinal chemistry letters 20120415
First and second generation γ-secretase modulators (GSMs) modulate amyloid-β (Aβ) peptide production through different mechanisms. The Journal of biological chemistry 20120406
A canine model to evaluate efficacy and safety of γ-secretase inhibitors and modulators. Journal of Alzheimer's disease : JAD 20120101
Aminothiazoles as γ-secretase modulators. Bioorganic & medicinal chemistry letters 20111101
Acute effect on the Aβ isoform pattern in CSF in response to γ-secretase modulator and inhibitor treatment in dogs. Journal of Alzheimer's disease : JAD 20100101
Properties