E-2012

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H26FN3O2
Molecular Weight	419.4912
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(\C=C2/CCCN([C@@H](C)C3=CC=C(F)C=C3)C2=O)=CC=C1N4C=NC(C)=C4

InChI

InChIKey=PUOAETJYKQITMO-LANLRWRYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C25H26FN3O2
Molecular Weight	419.4912
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Description
Sources: http://www.eisai.com/news/news200616.html
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/24085193

E-2012 is a gamma secretase modulator that is being evaluated as a potential new treatment for Alzheimer's disease. E-2012, a new chemical entity discovered by Eisai, has shown some potential in non-clinical studies to reduce the production of beta-amyloid Abeta 40/42 by modulating the function of gamma-secretase without interfering with the Notch-processing.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Gamma-secretase 21 Target ID: CHEMBL2094135 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22650177	Modulator 828		81.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Alzheimer’s disease 272 Sources: http://adisinsight.springer.com/drugs/800026719	Primary		Phase I 428	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY100563	https://www.001chemical.com/chem/search?q=DY100563
1PlusChem LLC	1P008G2T	https://www.1pchem.com/search?query=1P008G2T
AK Scientific	3740AC	https://aksci.com/item_detail.php?cat=3740AC
AlchemyPharm	AP00145	https://www.alchemypharm.com/pharm/search.do?q=AP00145
Angene	AGN-PC-0VAL6O	http://www.angenechemical.com/productshow/AGN-PC-0VAL6O.html
BLD Pharm	BD46581	http://www.bldpharm.com/search/Search.html?keyword=BD46581
BOC Sciences	870843-42-8	http://www.bocsci.com/description.asp?cas=870843-42-8
BioSynth	J-501810	https://www.biosynth.com/en/products/life-science/other-biochemicals/products/J-501810
Chem Scene	CS-0293	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0293
ChemShuttle	139676	https://www.chemshuttle.com/catalogsearch/result/?q=139676
Hairui	HR104246	http://www.hairuichem.com/en/product/search.do?q=HR104246
KeyOrganics	AS-55856	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-55856
Matrix Scientific	94626	http://www.matrixscientific.com/094626.html
MedChem Express	HY-10016	https://www.medchemexpress.com/search.html?q=HY-10016&ft=&fa=&fp=
MolPort	MolPort-008-266-429	https://www.molport.com/shop/molecule-link/MolPort-008-266-429
Molcore	MC100563	http://www.molcore.com/CatMC100563.html
Molnova	M16327	https://www.molnova.com/en/serch-list.html?keywords=M16327
eMolecules	275138892	https://orderbb.emolecules.com/search/#?query=275138892
eMolecules	300709264	https://orderbb.emolecules.com/search/#?query=300709264
eMolecules	44456052	https://orderbb.emolecules.com/search/#?query=44456052
eMolecules	44845158	https://orderbb.emolecules.com/search/#?query=44845158
eNovation Chemicals	D574756	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D574756&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-4788948341	https://mcule.com/MCULE-4788948341/
mcule	MCULE-9889907186	https://mcule.com/MCULE-9889907186/

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

Beagle dogs were given a single oral dose of 20 and80 mg/kg E-2012 with a dosing interval of at least 1 week

Route of Administration: Oral

In Vitro Use Guide

E-2012 was shown to have concentration-dependent inhibitory effects on cholesterol biosynthesis in primary culture of rat hepatocytes and HepG2 cells with IC50 values of 11.0, and 15.1 nmol/l, respectively. Cholesterol synthesis in the rat lens was also reduced by E-2012 at 100 nmol/l and higher.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:42:51 GMT 2023` Edited by `admin` on `Sat Dec 16 10:42:51 GMT 2023`
Record UNII	3LSD4Y5F0F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

E-2012

Common Name

English

(3E)-1-((1S)-1-(4-FLUOROPHENYL)ETHYL)-3-(3-METHOXY-4-(4-METHYL-1H-IMIDAZOL-1-YL)BENZYLIDENE)PIPERIDIN-2-ONE

Systematic Name

English

2-PIPERIDINONE, 1-((1S)-1-(4-FLUOROPHENYL)ETHYL)-3-((3-METHOXY-4-(4-METHYL-1H-IMIDAZOL-1-YL)PHENYL)METHYLENE)-, (3E)-

Systematic Name

English

Code System Code Type Description

CAS

870843-42-8